1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone

C15H12ClFO — CID 81045969

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
SMILESCc1cc(C(=O)Cc2ccccc2)c(Cl)cc1F
InChIInChI=1S/C15H12ClFO/c1-10-7-12(13(16)9-14(10)17)15(18)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyHLTVGFOJFFASQN-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.21
Rot. Bonds3

About 1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone

1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone (PubChem CID 81045969) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
PubChem CID81045969
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
SMILESCc1cc(C(=O)Cc2ccccc2)c(Cl)cc1F
InChIInChI=1S/C15H12ClFO/c1-10-7-12(13(16)9-14(10)17)15(18)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyHLTVGFOJFFASQN-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 81045028
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 81045569
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
CID 81046039
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374
2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
CID 81045571
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541
1-(2-chloro-5-fluoro-4-methylphenyl)-2-pyrimidin-2-ylethanone
CID 116833116
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylbutan-1-one
CID 81045808
1-(2-chloro-4-fluoro-5-methylphenyl)hexan-1-one
CID 81044873

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone (CID 81045969) is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone is Cc1cc(C(=O)Cc2ccccc2)c(Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone?
The InChIKey is HLTVGFOJFFASQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-10-7-12(13(16)9-14(10)17)15(18)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone?
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone has a molecular weight of 262.71 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone is sourced from PubChem (CID 81045969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).