1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone

C15H12BrClO2 — CID 114268991

IUPAC1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2c(Cl)cccc2Br)cc1
InChIInChI=1S/C15H12BrClO2/c1-19-11-7-5-10(6-8-11)9-14(18)15-12(16)3-2-4-13(15)17/h2-8H,9H2,1H3
InChIKeyVJRIXUBBZBSUOH-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.54
Rot. Bonds4

About 1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone

1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone (PubChem CID 114268991) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone
PubChem CID114268991
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2c(Cl)cccc2Br)cc1
InChIInChI=1S/C15H12BrClO2/c1-19-11-7-5-10(6-8-11)9-14(18)15-12(16)3-2-4-13(15)17/h2-8H,9H2,1H3
InChIKeyVJRIXUBBZBSUOH-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

2-amino-1-(2-bromo-6-chlorophenyl)ethanone
CID 84706659
2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
CID 86296545
1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone
CID 80530028
methyl (2S)-2-amino-3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]phenyl]propanoate
CID 157478198
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903
1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974360
1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867
bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone
CID 18400312
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
1-(2-chloro-6-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966192
2-(4-methoxyphenyl)-1-(2-methyl-6-nitrophenyl)ethanone
CID 61055081
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone (CID 114268991) is 1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2c(Cl)cccc2Br)cc1.
What is the InChIKey of 1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is VJRIXUBBZBSUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-19-11-7-5-10(6-8-11)9-14(18)15-12(16)3-2-4-13(15)17/h2-8H,9H2,1H3.
What are the key properties of 1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone?
1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)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 1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 114268991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).