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

C17H16ClFO — CID 24726352

IUPAC1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
SMILESCc1ccc(C)c(CCC(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H16ClFO/c1-11-3-4-12(2)13(9-11)6-8-17(20)14-5-7-16(19)15(18)10-14/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyMCYPVZSDNUPQDR-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.91
Rot. Bonds4

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

1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one (PubChem CID 24726352) has the molecular formula C17H16ClFO and a molecular weight of 290.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
PubChem CID24726352
Molecular FormulaC17H16ClFO
Molecular Weight290.77 g/mol
Exact Mass290.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
SMILESCc1ccc(C)c(CCC(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H16ClFO/c1-11-3-4-12(2)13(9-11)6-8-17(20)14-5-7-16(19)15(18)10-14/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyMCYPVZSDNUPQDR-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726340
1-(3-chloro-4-fluorophenyl)butan-1-one
CID 63093976
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589
1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726367
1-(3-chloro-4-fluorophenyl)-4-methylpent-4-en-1-one
CID 114473551
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
5-bromo-1-(3-chloro-4-fluorophenyl)pentan-1-one
CID 146005628
3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
7-chloro-1-(3-chloro-4-fluorophenyl)heptan-1-one
CID 24726766
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one (CID 24726352) is 1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one is Cc1ccc(C)c(CCC(=O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one?
The InChIKey is MCYPVZSDNUPQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c1-11-3-4-12(2)13(9-11)6-8-17(20)14-5-7-16(19)15(18)10-14/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one?
1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one has a molecular weight of 290.77 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).