1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone

C9H9BrO2 — CID 131623551

IUPAC1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(O)cc1Br
InChIInChI=1S/C9H9BrO2/c1-5-3-7(12)4-8(10)9(5)6(2)11/h3-4,12H,1-2H3
InChIKeyTUJVCNJQKVCQKV-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.67
Rot. Bonds1

About 1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone

1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone (PubChem CID 131623551) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone
PubChem CID131623551
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(O)cc1Br
InChIInChI=1S/C9H9BrO2/c1-5-3-7(12)4-8(10)9(5)6(2)11/h3-4,12H,1-2H3
InChIKeyTUJVCNJQKVCQKV-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluoro-6-methylphenyl)ethanone
CID 53402494
1-(2-bromo-4-chloro-6-methylphenyl)ethanone
CID 131308865
1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone
CID 131572162
1-[2-(difluoromethyl)-4-hydroxy-6-methylphenyl]ethanone
CID 131329925
bis(2,4-dihydroxy-6-methylphenyl)methanone
CID 23364960
1-(2,6-dibromo-4-iodophenyl)ethanone
CID 171001824
1-(3-bromo-5-methyl-4-pyridinyl)ethanone
CID 84680118
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone
CID 131292987
1-(2-hydroxy-4,6-dimethylphenyl)ethanone
CID 139057763
(2,6-dibromo-4-hydroxyphenyl) acetate
CID 70199950
2-bromo-5-hydroxy-3-methylbenzoic acid
CID 66726623

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone (CID 131623551) is 1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone is CC(=O)c1c(C)cc(O)cc1Br.
What is the InChIKey of 1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone?
The InChIKey is TUJVCNJQKVCQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-5-3-7(12)4-8(10)9(5)6(2)11/h3-4,12H,1-2H3.
What are the key properties of 1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone?
1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone has a molecular weight of 229.07 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone is sourced from PubChem (CID 131623551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).