(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol

C13H8BrCl2FO — CID 105397701

IUPAC(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol
SMILESOC(c1cc(F)ccc1Cl)c1cccc(Br)c1Cl
InChIInChI=1S/C13H8BrCl2FO/c14-10-3-1-2-8(12(10)16)13(18)9-6-7(17)4-5-11(9)15/h1-6,13,18H
InChIKeyOKURJVMIXRYODD-UHFFFAOYSA-N
MW350.01 g/mol
LogP4.98
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol

(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol (PubChem CID 105397701) has the molecular formula C13H8BrCl2FO and a molecular weight of 350.01 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol
PubChem CID105397701
Molecular FormulaC13H8BrCl2FO
Molecular Weight350.01 g/mol
Exact Mass347.91
IUPAC Name(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol
SMILESOC(c1cc(F)ccc1Cl)c1cccc(Br)c1Cl
InChIInChI=1S/C13H8BrCl2FO/c14-10-3-1-2-8(12(10)16)13(18)9-6-7(17)4-5-11(9)15/h1-6,13,18H
InChIKeyOKURJVMIXRYODD-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

(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol
CID 115793021
(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105393805
(3-bromo-2-chlorophenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107516210
(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397590
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
CID 106765137
(3-bromo-2-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792552
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(2-bromophenyl)-(2,5-difluorophenyl)methanol
CID 61101637
1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377688
(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484503
(2-chloro-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 105394068
[1-(3-bromo-2-chlorophenyl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 102623531

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol (CID 105397701) is (3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol is OC(c1cc(F)ccc1Cl)c1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol?
The InChIKey is OKURJVMIXRYODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FO/c14-10-3-1-2-8(12(10)16)13(18)9-6-7(17)4-5-11(9)15/h1-6,13,18H.
What are the key properties of (3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol?
(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)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 (3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol is sourced from PubChem (CID 105397701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).