1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one

C16H14BrFO2 — CID 62829143

IUPAC1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccccc2Br)cc1F
InChIInChI=1S/C16H14BrFO2/c1-20-16-7-6-11(9-15(16)18)8-13(19)10-12-4-2-3-5-14(12)17/h2-7,9H,8,10H2,1H3
InChIKeyLYNAUTIWFQIBKE-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.95
Rot. Bonds5

About 1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one

1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one (PubChem CID 62829143) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
PubChem CID62829143
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccccc2Br)cc1F
InChIInChI=1S/C16H14BrFO2/c1-20-16-7-6-11(9-15(16)18)8-13(19)10-12-4-2-3-5-14(12)17/h2-7,9H,8,10H2,1H3
InChIKeyLYNAUTIWFQIBKE-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
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1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
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1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
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2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
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CID 9045822
1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
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CID 105086081
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CID 116562712

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one (CID 62829143) is 1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one is COc1ccc(CC(=O)Cc2ccccc2Br)cc1F.
What is the InChIKey of 1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
The InChIKey is LYNAUTIWFQIBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-20-16-7-6-11(9-15(16)18)8-13(19)10-12-4-2-3-5-14(12)17/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one has a molecular weight of 337.19 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 62829143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).