(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol

C13H8BrCl2FO — CID 115793021

IUPAC(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol
SMILESOC(c1ccc(F)cc1Br)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8BrCl2FO/c14-10-6-7(17)4-5-8(10)13(18)9-2-1-3-11(15)12(9)16/h1-6,13,18H
InChIKeyWBVGLFSSKWCVAC-UHFFFAOYSA-N
MW350.01 g/mol
LogP4.98
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol

(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol (PubChem CID 115793021) has the molecular formula C13H8BrCl2FO and a molecular weight of 350.01 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol
PubChem CID115793021
Molecular FormulaC13H8BrCl2FO
Molecular Weight350.01 g/mol
Exact Mass347.91
IUPAC Name(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol
SMILESOC(c1ccc(F)cc1Br)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8BrCl2FO/c14-10-6-7(17)4-5-8(10)13(18)9-2-1-3-11(15)12(9)16/h1-6,13,18H
InChIKeyWBVGLFSSKWCVAC-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.01
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397701
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol
CID 79590685
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589
3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol
CID 82792768
(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 61082422
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561
(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
CID 105057027
1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol
CID 103947015
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
CID 106765137
1-(2-bromo-4-fluorophenyl)-4-chlorobutane-1,2-diol
CID 171894881

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol (CID 115793021) is (2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol is OC(c1ccc(F)cc1Br)c1cccc(Cl)c1Cl.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol?
The InChIKey is WBVGLFSSKWCVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FO/c14-10-6-7(17)4-5-8(10)13(18)9-2-1-3-11(15)12(9)16/h1-6,13,18H.
What are the key properties of (2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol?
(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol has a molecular weight of 350.01 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol is sourced from PubChem (CID 115793021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).