1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one

C17H16ClFO — CID 107890911

IUPAC1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
SMILESCc1ccc(C)c(CC(=O)Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C17H16ClFO/c1-11-3-4-12(2)14(7-11)10-15(20)8-13-5-6-16(18)17(19)9-13/h3-7,9H,8,10H2,1-2H3
InChIKeySVHVKVGMAUDLGQ-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.45
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one

1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one (PubChem CID 107890911) has the molecular formula C17H16ClFO and a molecular weight of 290.77 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
PubChem CID107890911
Molecular FormulaC17H16ClFO
Molecular Weight290.77 g/mol
Exact Mass290.09
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
SMILESCc1ccc(C)c(CC(=O)Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C17H16ClFO/c1-11-3-4-12(2)14(7-11)10-15(20)8-13-5-6-16(18)17(19)9-13/h3-7,9H,8,10H2,1-2H3
InChIKeySVHVKVGMAUDLGQ-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 107884016
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890805
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
CID 114968486
1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965782
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 107890837
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone
CID 114012654
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-one
CID 107883978
1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one
CID 130985316

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one (CID 107890911) is 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one is Cc1ccc(C)c(CC(=O)Cc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one?
The InChIKey is SVHVKVGMAUDLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c1-11-3-4-12(2)14(7-11)10-15(20)8-13-5-6-16(18)17(19)9-13/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one?
1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one has a molecular weight of 290.77 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one is sourced from PubChem (CID 107890911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).