(S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol

C14H12BrClO — CID 97293534

IUPAC(S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol
SMILESCc1ccc(Cl)cc1[C@@H](O)c1cccc(Br)c1
InChIInChI=1S/C14H12BrClO/c1-9-5-6-12(16)8-13(9)14(17)10-3-2-4-11(15)7-10/h2-8,14,17H,1H3/t14-/m0/s1
InChIKeyGIYQIEOSWKTKOR-AWEZNQCLSA-N
MW311.61 g/mol
LogP4.49
Rot. Bonds2

About (S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol

(S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol (PubChem CID 97293534) has the molecular formula C14H12BrClO and a molecular weight of 311.61 g/mol. Its IUPAC name is (S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol
PubChem CID97293534
Molecular FormulaC14H12BrClO
Molecular Weight311.61 g/mol
Exact Mass309.98
IUPAC Name(S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol
SMILESCc1ccc(Cl)cc1[C@@H](O)c1cccc(Br)c1
InChIInChI=1S/C14H12BrClO/c1-9-5-6-12(16)8-13(9)14(17)10-3-2-4-11(15)7-10/h2-8,14,17H,1H3/t14-/m0/s1
InChIKeyGIYQIEOSWKTKOR-AWEZNQCLSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
(3-bromophenyl)-(2-methylphenyl)methanol
CID 60798541
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082620
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105393805
(5-chloro-2-methylphenyl)-(2,3-difluorophenyl)methanol
CID 115800933
(5-chloro-2-methylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 82883722
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859
(3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol
CID 115800715
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65307271

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol?
The IUPAC name of (S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol (CID 97293534) is (S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol.
What is the SMILES notation for (S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol?
The canonical SMILES for (S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol is Cc1ccc(Cl)cc1[C@@H](O)c1cccc(Br)c1.
What is the InChIKey of (S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol?
The InChIKey is GIYQIEOSWKTKOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H12BrClO/c1-9-5-6-12(16)8-13(9)14(17)10-3-2-4-11(15)7-10/h2-8,14,17H,1H3/t14-/m0/s1.
What are the key properties of (S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol?
(S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol has a molecular weight of 311.61 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol is sourced from PubChem (CID 97293534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).