1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone

C15H12ClFO — CID 118330416

IUPAC1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(-c2cccc(C)c2F)c1
InChIInChI=1S/C15H12ClFO/c1-9-4-3-5-12(15(9)17)13-8-11(10(2)18)6-7-14(13)16/h3-8H,1-2H3
InChIKeyYXYXFZQOBROQPK-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.66
Rot. Bonds2

About 1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone

1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone (PubChem CID 118330416) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone
PubChem CID118330416
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(-c2cccc(C)c2F)c1
InChIInChI=1S/C15H12ClFO/c1-9-4-3-5-12(15(9)17)13-8-11(10(2)18)6-7-14(13)16/h3-8H,1-2H3
InChIKeyYXYXFZQOBROQPK-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651113
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
CID 82541260
1-(2-chloro-5-methylsulfonylphenyl)-2-fluoro-3-methylbenzene
CID 118330518
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
1-[2-chloro-5-(trifluoromethylsulfinyl)phenyl]-2-fluoro-3-methylbenzene
CID 144911819
3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide
CID 176632113
2-(2-chloro-5-methoxycarbonylphenyl)-6-methylbenzoic acid
CID 53228431
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone
CID 145105680
3-(2-chloro-4,5-dimethylphenyl)-2-fluorobenzoic acid
CID 107957755
1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone
CID 82541177
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone
CID 114732126

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone (CID 118330416) is 1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone is CC(=O)c1ccc(Cl)c(-c2cccc(C)c2F)c1.
What is the InChIKey of 1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone?
The InChIKey is YXYXFZQOBROQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-9-4-3-5-12(15(9)17)13-8-11(10(2)18)6-7-14(13)16/h3-8H,1-2H3.
What are the key properties of 1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone?
1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone has a molecular weight of 262.71 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone is sourced from PubChem (CID 118330416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).