(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol

C13H9BrClFO — CID 129410443

IUPAC(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
SMILESO[C@H](c1ccccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C13H9BrClFO/c14-10-6-3-5-9(12(10)16)13(17)8-4-1-2-7-11(8)15/h1-7,13,17H/t13-/m1/s1
InChIKeyPBXIOGFHMHHTET-CYBMUJFWSA-N
MW315.57 g/mol
LogP4.32
Rot. Bonds2

About (S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol

(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol (PubChem CID 129410443) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is (S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol.

Molecular Properties

Compound Name(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
PubChem CID129410443
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
SMILESO[C@H](c1ccccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C13H9BrClFO/c14-10-6-3-5-9(12(10)16)13(17)8-4-1-2-7-11(8)15/h1-7,13,17H/t13-/m1/s1
InChIKeyPBXIOGFHMHHTET-CYBMUJFWSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol
CID 81264627
(4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol
CID 79595737
1-(3-bromo-2-fluorophenyl)-3-chloropropane-1,2-diol
CID 171863326
1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 86730391
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538
(R)-(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 129410436

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol?
The IUPAC name of (S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol (CID 129410443) is (S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol.
What is the SMILES notation for (S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol?
The canonical SMILES for (S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol is O[C@H](c1ccccc1Cl)c1cccc(Br)c1F.
What is the InChIKey of (S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol?
The InChIKey is PBXIOGFHMHHTET-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H9BrClFO/c14-10-6-3-5-9(12(10)16)13(17)8-4-1-2-7-11(8)15/h1-7,13,17H/t13-/m1/s1.
What are the key properties of (S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol?
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol has a molecular weight of 315.57 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol is sourced from PubChem (CID 129410443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).