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

C15H12BrClO2 — CID 59486536

IUPAC2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(Br)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12BrClO2/c1-19-13-8-4-10(5-9-13)14(16)15(18)11-2-6-12(17)7-3-11/h2-9,14H,1H3
InChIKeyAQDRZKQMCZPWNN-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.67
Rot. Bonds4

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

2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone (PubChem CID 59486536) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone
PubChem CID59486536
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(Br)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12BrClO2/c1-19-13-8-4-10(5-9-13)14(16)15(18)11-2-6-12(17)7-3-11/h2-9,14H,1H3
InChIKeyAQDRZKQMCZPWNN-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromo-1,2-bis(4-methoxyphenyl)ethanone
CID 40529587
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 102032206
2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide
CID 18510988
4-[1-bromo-2-(4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 18756147
2,3-dibromo-1,3-bis(4-methoxyphenyl)propan-1-one
CID 10895225
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
methyl 2-bromo-2-(4-methoxyphenyl)acetate
CID 10753737
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
S-(4-chlorobenzoyl)sulfanyl 4-methoxybenzenecarbothioate
CID 12596573

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone (CID 59486536) is 2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone is COc1ccc(C(Br)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is AQDRZKQMCZPWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-19-13-8-4-10(5-9-13)14(16)15(18)11-2-6-12(17)7-3-11/h2-9,14H,1H3.
What are the key properties of 2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone?
2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 339.62 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 59486536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).