(5-bromo-2-methoxy-3-methylphenyl)methanol

C9H11BrO2 — CID 58993702

IUPAC(5-bromo-2-methoxy-3-methylphenyl)methanol
SMILESCOc1c(C)cc(Br)cc1CO
InChIInChI=1S/C9H11BrO2/c1-6-3-8(10)4-7(5-11)9(6)12-2/h3-4,11H,5H2,1-2H3
InChIKeyJVGBLWPQHTYOLV-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.26
Rot. Bonds2

About (5-bromo-2-methoxy-3-methylphenyl)methanol

(5-bromo-2-methoxy-3-methylphenyl)methanol (PubChem CID 58993702) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is (5-bromo-2-methoxy-3-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxy-3-methylphenyl)methanol
PubChem CID58993702
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name(5-bromo-2-methoxy-3-methylphenyl)methanol
SMILESCOc1c(C)cc(Br)cc1CO
InChIInChI=1S/C9H11BrO2/c1-6-3-8(10)4-7(5-11)9(6)12-2/h3-4,11H,5H2,1-2H3
InChIKeyJVGBLWPQHTYOLV-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-2-methoxy-3-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

3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
(5-fluoro-2-methoxy-3-methylphenyl)methanol
CID 84653739
5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
CID 175135355
[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
CID 112621176
[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol
CID 112621149
[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
CID 112621165
[5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 115962124
[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]methanol
CID 112621049
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
CID 112621072

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-3-methylphenyl)methanol?
The IUPAC name of (5-bromo-2-methoxy-3-methylphenyl)methanol (CID 58993702) is (5-bromo-2-methoxy-3-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-methoxy-3-methylphenyl)methanol?
The canonical SMILES for (5-bromo-2-methoxy-3-methylphenyl)methanol is COc1c(C)cc(Br)cc1CO.
What is the InChIKey of (5-bromo-2-methoxy-3-methylphenyl)methanol?
The InChIKey is JVGBLWPQHTYOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-6-3-8(10)4-7(5-11)9(6)12-2/h3-4,11H,5H2,1-2H3.
What are the key properties of (5-bromo-2-methoxy-3-methylphenyl)methanol?
(5-bromo-2-methoxy-3-methylphenyl)methanol has a molecular weight of 231.09 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-3-methylphenyl)methanol is sourced from PubChem (CID 58993702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).