2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone

C16H14BrFO2 — CID 81273091

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(F)cc2C)cc1Br
InChIInChI=1S/C16H14BrFO2/c1-10-7-12(18)4-5-13(10)15(19)9-11-3-6-16(20-2)14(17)8-11/h3-8H,9H2,1-2H3
InChIKeyHKSDFTGVQPCXAF-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.33
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone

2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 81273091) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
PubChem CID81273091
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(F)cc2C)cc1Br
InChIInChI=1S/C16H14BrFO2/c1-10-7-12(18)4-5-13(10)15(19)9-11-3-6-16(20-2)14(17)8-11/h3-8H,9H2,1-2H3
InChIKeyHKSDFTGVQPCXAF-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107538191
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 62790793
2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79723493
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738
1-(2-amino-3-methoxyphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107469003
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 64713786
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790005
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656
1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 61054868
1-(3-amino-2-methylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116604463
2-(3-bromo-4-methoxyphenyl)-1-(4-iodophenyl)ethanone
CID 114964703

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone (CID 81273091) is 2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone is COc1ccc(CC(=O)c2ccc(F)cc2C)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is HKSDFTGVQPCXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-10-7-12(18)4-5-13(10)15(19)9-11-3-6-16(20-2)14(17)8-11/h3-8H,9H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone?
2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 337.19 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 81273091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).