1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone

C15H12BrFO2 — CID 61078965

IUPAC1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(F)cc2Br)c1
InChIInChI=1S/C15H12BrFO2/c1-19-12-4-2-3-10(7-12)8-15(18)13-6-5-11(17)9-14(13)16/h2-7,9H,8H2,1H3
InChIKeyZQFRSYUAPLSREN-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.02
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone

1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone (PubChem CID 61078965) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
PubChem CID61078965
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(F)cc2Br)c1
InChIInChI=1S/C15H12BrFO2/c1-19-12-4-2-3-10(7-12)8-15(18)13-6-5-11(17)9-14(13)16/h2-7,9H,8H2,1H3
InChIKeyZQFRSYUAPLSREN-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61079156
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247
1-(2-bromo-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81110990
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1-(5-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 65308121
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 82772175

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone (CID 61078965) is 1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2ccc(F)cc2Br)c1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is ZQFRSYUAPLSREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-19-12-4-2-3-10(7-12)8-15(18)13-6-5-11(17)9-14(13)16/h2-7,9H,8H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone?
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone has a molecular weight of 323.16 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 61078965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).