1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone

C15H12BrFO2 — CID 159564102

IUPAC1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C15H12BrFO2/c1-19-13-7-4-11(14(17)9-13)8-15(18)10-2-5-12(16)6-3-10/h2-7,9H,8H2,1H3
InChIKeyUWTJJDFPZXFFGW-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.02
Rot. Bonds4

About 1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone

1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone (PubChem CID 159564102) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone
PubChem CID159564102
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C15H12BrFO2/c1-19-13-7-4-11(14(17)9-13)8-15(18)10-2-5-12(16)6-3-10/h2-7,9H,8H2,1H3
InChIKeyUWTJJDFPZXFFGW-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

2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone
CID 102947956
CID 59418410
CID 59418410
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863532
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 107996296
2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 142728271
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 8803581
(2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate
CID 102878330

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone (CID 159564102) is 1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2ccc(Br)cc2)c(F)c1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is UWTJJDFPZXFFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-19-13-7-4-11(14(17)9-13)8-15(18)10-2-5-12(16)6-3-10/h2-7,9H,8H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone?
1-(4-bromophenyl)-2-(2-fluoro-4-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-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 159564102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).