1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one

C10H11BrO2 — CID 84801898

IUPAC1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one
SMILESCC(=O)Cc1c(O)cc(C)cc1Br
InChIInChI=1S/C10H11BrO2/c1-6-3-9(11)8(5-7(2)12)10(13)4-6/h3-4,13H,5H2,1-2H3
InChIKeyQNUQYVVHOYCHRJ-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.59
Rot. Bonds2

About 1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one

1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one (PubChem CID 84801898) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one
PubChem CID84801898
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one
SMILESCC(=O)Cc1c(O)cc(C)cc1Br
InChIInChI=1S/C10H11BrO2/c1-6-3-9(11)8(5-7(2)12)10(13)4-6/h3-4,13H,5H2,1-2H3
InChIKeyQNUQYVVHOYCHRJ-UHFFFAOYSA-N
XLogP2.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid
CID 84810240
1-(3-bromo-2-fluoro-5-methylphenyl)propan-2-one
CID 84704825
1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one
CID 117430448
1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one
CID 83900104
1-(5-bromo-2-hydroxy-3-methoxy-6-methylphenyl)propan-2-one
CID 84713496
bis[3-bromo-2-(bromomethyl)-5-methylphenyl]methanone
CID 139698646
methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate
CID 58892842
2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid
CID 84809964
3-(3-bromo-2-hydroxy-5-methylphenyl)propanal
CID 166772839
1-(3-bromo-6-fluoro-2-hydroxyphenyl)propan-2-one
CID 83900120
methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate
CID 131029302
1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one
CID 117114980

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one?
The IUPAC name of 1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one (CID 84801898) is 1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one?
The canonical SMILES for 1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one is CC(=O)Cc1c(O)cc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one?
The InChIKey is QNUQYVVHOYCHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-6-3-9(11)8(5-7(2)12)10(13)4-6/h3-4,13H,5H2,1-2H3.
What are the key properties of 1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one?
1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one has a molecular weight of 243.10 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one is sourced from PubChem (CID 84801898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).