1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one

C10H11BrO3 — CID 131010068

IUPAC1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one
SMILESCOc1cccc(O)c1C(Br)C(C)=O
InChIInChI=1S/C10H11BrO3/c1-6(12)10(11)9-7(13)4-3-5-8(9)14-2/h3-5,10,13H,1-2H3
InChIKeyOBRWHZIXIKKBJF-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.43
Rot. Bonds3

About 1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one

1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one (PubChem CID 131010068) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one
PubChem CID131010068
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one
SMILESCOc1cccc(O)c1C(Br)C(C)=O
InChIInChI=1S/C10H11BrO3/c1-6(12)10(11)9-7(13)4-3-5-8(9)14-2/h3-5,10,13H,1-2H3
InChIKeyOBRWHZIXIKKBJF-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1-(2-methoxy-6-methylphenyl)propan-2-one
CID 130839901
1-bromo-1-[2-fluoro-6-(trifluoromethoxy)phenyl]propan-2-one
CID 134615787
1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one
CID 130773650
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655
1-bromo-1-[3-(difluoromethoxy)-2-methoxyphenyl]propan-2-one
CID 134615829
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-6-methoxyphenyl)propanoate
CID 171245066
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
CID 171235918
1-[2-(difluoromethyl)-3-methoxyphenyl]ethanone
CID 84669251
2-(1-chloroethyl)-1,3-dimethoxybenzene
CID 130480511
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
1-bromo-1-(2-methoxy-4-methylphenyl)propan-2-one
CID 130779045

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one?
The IUPAC name of 1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one (CID 131010068) is 1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one is COc1cccc(O)c1C(Br)C(C)=O.
What is the InChIKey of 1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one?
The InChIKey is OBRWHZIXIKKBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-6(12)10(11)9-7(13)4-3-5-8(9)14-2/h3-5,10,13H,1-2H3.
What are the key properties of 1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one?
1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one has a molecular weight of 259.10 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(2-hydroxy-6-methoxyphenyl)propan-2-one is sourced from PubChem (CID 131010068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).