2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone

C16H14BrFO2 — CID 106790005

IUPAC2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H14BrFO2/c1-10-3-5-12(16(7-10)20-2)15(19)9-11-4-6-14(18)13(17)8-11/h3-8H,9H2,1-2H3
InChIKeyPMOUSPXAHXEEEQ-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.33
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone

2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone (PubChem CID 106790005) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
PubChem CID106790005
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H14BrFO2/c1-10-3-5-12(16(7-10)20-2)15(19)9-11-4-6-14(18)13(17)8-11/h3-8H,9H2,1-2H3
InChIKeyPMOUSPXAHXEEEQ-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-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 103394230
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107538191
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273091
2-[(3-bromo-4-fluorophenyl)methoxy]-4-methylbenzoic acid
CID 61037590
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 63527693
[2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone
CID 134514613
1-(2-bromo-3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 107538015
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone (CID 106790005) is 2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone is COc1cc(C)ccc1C(=O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone?
The InChIKey is PMOUSPXAHXEEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-10-3-5-12(16(7-10)20-2)15(19)9-11-4-6-14(18)13(17)8-11/h3-8H,9H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone?
2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-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-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 106790005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).