(3-bromo-6-chloro-2-methylphenyl)methanol

C8H8BrClO — CID 131627541

IUPAC(3-bromo-6-chloro-2-methylphenyl)methanol
SMILESCc1c(Br)ccc(Cl)c1CO
InChIInChI=1S/C8H8BrClO/c1-5-6(4-11)8(10)3-2-7(5)9/h2-3,11H,4H2,1H3
InChIKeyLIXCHXJNYQQQQV-UHFFFAOYSA-N
MW235.51 g/mol
LogP2.90
Rot. Bonds1

About (3-bromo-6-chloro-2-methylphenyl)methanol

(3-bromo-6-chloro-2-methylphenyl)methanol (PubChem CID 131627541) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is (3-bromo-6-chloro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-6-chloro-2-methylphenyl)methanol
PubChem CID131627541
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name(3-bromo-6-chloro-2-methylphenyl)methanol
SMILESCc1c(Br)ccc(Cl)c1CO
InChIInChI=1S/C8H8BrClO/c1-5-6(4-11)8(10)3-2-7(5)9/h2-3,11H,4H2,1H3
InChIKeyLIXCHXJNYQQQQV-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-bromo-6-chloro-2-methylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-chloro-3-fluoro-2-methylphenyl)methanol
CID 130839356
(3-bromo-5-chloro-2,6-dimethylphenyl)methanol
CID 84803777
(2-bromo-3-chloro-6-methylphenyl)methanol
CID 131628561
2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone
CID 171032819
4-bromo-3-(hydroxymethyl)-2-methylphenol
CID 66643800
(3-bromo-4-chloro-2-methylphenyl)methanol
CID 131627539
(3-chloro-6-fluoro-2-methylphenyl)methanol
CID 84766744
2-(3-bromo-2,6-dichlorophenyl)ethanol
CID 69130097
1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene
CID 154933123
4-bromo-2-chloro-3-(hydroxymethyl)phenol
CID 66643855
1,4-dibromo-2-chloro-3-methylbenzene
CID 44891208
2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583

Frequently Asked Questions

What is the IUPAC name of (3-bromo-6-chloro-2-methylphenyl)methanol?
The IUPAC name of (3-bromo-6-chloro-2-methylphenyl)methanol (CID 131627541) is (3-bromo-6-chloro-2-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-6-chloro-2-methylphenyl)methanol?
The canonical SMILES for (3-bromo-6-chloro-2-methylphenyl)methanol is Cc1c(Br)ccc(Cl)c1CO.
What is the InChIKey of (3-bromo-6-chloro-2-methylphenyl)methanol?
The InChIKey is LIXCHXJNYQQQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO/c1-5-6(4-11)8(10)3-2-7(5)9/h2-3,11H,4H2,1H3.
What are the key properties of (3-bromo-6-chloro-2-methylphenyl)methanol?
(3-bromo-6-chloro-2-methylphenyl)methanol has a molecular weight of 235.51 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-6-chloro-2-methylphenyl)methanol is sourced from PubChem (CID 131627541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).