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

C21H17BrO2 — CID 87278557

IUPAC2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone
SMILESCOc1ccccc1C(=O)C(Br)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17BrO2/c1-24-19-10-6-5-9-18(19)21(23)20(22)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14,20H,1H3
InChIKeyPNTCPEMKZOYDSL-UHFFFAOYSA-N
MW381.27 g/mol
LogP5.68
Rot. Bonds5

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

2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone (PubChem CID 87278557) has the molecular formula C21H17BrO2 and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone
PubChem CID87278557
Molecular FormulaC21H17BrO2
Molecular Weight381.27 g/mol
Exact Mass380.04
IUPAC Name2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone
SMILESCOc1ccccc1C(=O)C(Br)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17BrO2/c1-24-19-10-6-5-9-18(19)21(23)20(22)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14,20H,1H3
InChIKeyPNTCPEMKZOYDSL-UHFFFAOYSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 55.68
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-methoxyphenyl)propan-1-one
CID 94723757
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 143364399
2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid
CID 54172457
(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one
CID 102254058
(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2,4,4-trifluoro-1-(2-methoxyphenyl)butane-1,3-dione
CID 87600233
2-(2-methoxybenzoyl)-3-methylbutanoic acid
CID 116922978
2-methoxybenzoate;hydrochloride
CID 18793456
3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924250

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone (CID 87278557) is 2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone is COc1ccccc1C(=O)C(Br)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone?
The InChIKey is PNTCPEMKZOYDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrO2/c1-24-19-10-6-5-9-18(19)21(23)20(22)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14,20H,1H3.
What are the key properties of 2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone?
2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone has a molecular weight of 381.27 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 87278557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).