2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone

C15H12BrClO2 — CID 62098415

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1ccccc1Cl
InChIInChI=1S/C15H12BrClO2/c1-19-15-7-6-11(16)8-10(15)9-14(18)12-4-2-3-5-13(12)17/h2-8H,9H2,1H3
InChIKeyBNOICHZOTBMJSW-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.54
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone

2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone (PubChem CID 62098415) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
PubChem CID62098415
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1ccccc1Cl
InChIInChI=1S/C15H12BrClO2/c1-19-15-7-6-11(16)8-10(15)9-14(18)12-4-2-3-5-13(12)17/h2-8H,9H2,1H3
InChIKeyBNOICHZOTBMJSW-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965715
1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116591939
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116597773
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968572
2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
CID 63084863
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)ethanone
CID 114964598
1-(5-bromo-2-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800078
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17289791

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone (CID 62098415) is 2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone is COc1ccc(Br)cc1CC(=O)c1ccccc1Cl.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone?
The InChIKey is BNOICHZOTBMJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-19-15-7-6-11(16)8-10(15)9-14(18)12-4-2-3-5-13(12)17/h2-8H,9H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone?
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone has a molecular weight of 339.62 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 62098415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).