Query Query Br
O
1. Query
Results
Date
4 substances in Reaxys
2017-11-11 21h:20m:14s (EST)
OH
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1/4
2017-11-11 21:21:26
Reaxys ID 3257773 View in Reaxys
Br
1/4 CAS Registry Number: 408325-58-6 Chemical Name: 4-(2-bromo-propyl)-2-methoxy-phenol; (+-)Methyl-[6-hydroxy-3-(2-brom-propyl)-phenyl]-aether; (+-)-4-Hydroxy-3-methoxy-1-(2-brom-propyl)-benzol; 4-(2-Brom-propyl)-2-methoxy-phenol Linear Structure Formula: C10H13BrO2 Molecular Formula: C10H13BrO2 Molecular Weight: 245.116 Type of Substance: isocyclic InChI Key: ASBDXQOJFIDYBJ-UHFFFAOYSA-N Note:
O
OH
Druglikeness (1) 1 of 1
LogP
2.719
H Bond Donors
1
H Bond Acceptors
0
Rotatable Bonds
3
TPSA
29.46
Lipinski Number
4
Veber Number
2
Derivative (1) Comment (Derivative)
References
benzoyl derivative Clemo; Turnbull; Journal of the Chemical Society; (1945); p. 533; Journal of the Chemical Society; (1946); p. (mp: 80-81 de701,703, View in Reaxys gree ) Boiling Point (3) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
Comment (Boiling References Point)
170 - 171
13
blaeulich fluorescierendes Oel.
Riegel; Wittcoff; Journal of the American Chemical Society; vol. 68; (1946); p. 1913,1916, View in Reaxys
150
3
blaeulich fluorescierendes Oel.
Riegel; Wittcoff; Journal of the American Chemical Society; vol. 68; (1946); p. 1913,1916, View in Reaxys
130 - 134
2
Clemo; Turnbull; Journal of the Chemical Society; (1945); p. 533; Journal of the Chemical Society; (1946); p. 701,703, View in Reaxys
Reaxys ID 3257772 View in Reaxys
Cl
2/4 CAS Registry Number: 4204-51-7 Chemical Name: 4-(2-chloro-propyl)-2-methoxy-phenol; 4-(2Chlor-propyl)-2-methoxy-phenol; (+-)-Methyl-[6-hydroxy-3-(2chlor-propyl)-phenyl]-aether; (+-)-4-Hydroxy-3-methoxy-1-(2chlor-propyl)-benzol Linear Structure Formula: C10H13ClO2 Molecular Formula: C10H13ClO2 Molecular Weight: 200.665 Type of Substance: isocyclic InChI Key: WDUGTCZBPIVXMH-UHFFFAOYSA-N Note:
O
OH
Druglikeness (1) 1 of 1
LogP
2.381
H Bond Donors
1
H Bond Acceptors
0
Rotatable Bonds
3
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
2/4
2017-11-11 21:21:26
TPSA
29.46
Lipinski Number
4
Veber Number
2
Derivative (2) Comment (Derivative)
References
benzoyl derivative Mel'kanowizkaja; Zukerwanik; Doklady Akademii Nauk UzSSR; nb. 11; (1959); p. 40,41, 43; Chem.Abstr.; (mp: 83-85 de(1960); p. 20948, View in Reaxys gree ) benzoyl derivative Clemo; Turnbull; Journal of the Chemical Society; (1945); p. 533; Journal of the Chemical Society; (1946); p. (mp: 79-80.5 de- 701,703, View in Reaxys gree ) Boiling Point (2) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
References
122 - 124
2
Mel'kanowizkaja; Zukerwanik; Doklady Akademii Nauk UzSSR; nb. 11; (1959); p. 40,41, 43; Chem.Abstr.; (1960); p. 20948, View in Reaxys
112 - 115
2
Clemo; Turnbull; Journal of the Chemical Society; (1945); p. 533; Journal of the Chemical Society; (1946); p. 701,703, View in Reaxys
Refractive Index (1) Refractive Index Wavelength (Refractive Index) [nm]
Temperature (Refractive Index) [°C]
References
1.5412
20
Mel'kanowizkaja; Zukerwanik; Doklady Akademii Nauk UzSSR; nb. 11; (1959); p. 40,41, 43; Chem.Abstr.; (1960); p. 20948, View in Reaxys
589
Reaxys ID 7116233 View in Reaxys
Br
3/4 Linear Structure Formula: C10H12Br2O2 Molecular Formula: C10H12Br2O2 Molecular Weight: 324.012 Type of Substance: isocyclic InChI Key: SLWXOLZWZLYUGH-UHFFFAOYSA-N Note:
O
OH Br
Substance Label (1) Label References L
Pospisek,J. et al.; Collection of Czechoslovak Chemical Communications; vol. 40; (1975); p. 142 - 148, View in Reaxys
Druglikeness (1) 1 of 1
LogP
3.517
H Bond Donors
1
H Bond Acceptors
0
Rotatable Bonds
3
TPSA
29.46
Lipinski Number
4
Veber Number
2
Reaxys ID 30485308 View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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3/4
2017-11-11 21:21:26
O
Linear Structure Formula: C10H13IO2 Molecular Formula: C10H13IO2 Molecular Weight: 292.117 InChI Key: GHAQQDOXFLTMQQ-UHFFFAOYSA-N Note:
I
HO
Substance Label (1) Label References 3
Sang, Dayong; Yao, Ming; Tian, Juan; Chen, Xiaoman; Li, Li; Zhan, Hongju; You, Linhong; Synlett; vol. 28; nb. 1; (2017); p. 138 - 142; Art.No: ST-2016-W0527-L, View in Reaxys
Druglikeness (1) 1 of 1
LogP
2.919
H Bond Donors
1
H Bond Acceptors
0
Rotatable Bonds
3
TPSA
29.46
Lipinski Number
4
Veber Number
2
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
4/4
2017-11-11 21:21:26