1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one

C17H17ClO — CID 24726340

IUPAC1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
SMILESCc1ccc(C)c(CCC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClO/c1-12-6-7-13(2)14(10-12)8-9-17(19)15-4-3-5-16(18)11-15/h3-7,10-11H,8-9H2,1-2H3
InChIKeyUCVLNFFAIKXADM-UHFFFAOYSA-N
MW272.77 g/mol
LogP4.77
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one

1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one (PubChem CID 24726340) has the molecular formula C17H17ClO and a molecular weight of 272.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
PubChem CID24726340
Molecular FormulaC17H17ClO
Molecular Weight272.77 g/mol
Exact Mass272.10
IUPAC Name1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
SMILESCc1ccc(C)c(CCC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClO/c1-12-6-7-13(2)14(10-12)8-9-17(19)15-4-3-5-16(18)11-15/h3-7,10-11H,8-9H2,1-2H3
InChIKeyUCVLNFFAIKXADM-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726352
1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
CID 24725678
3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
CID 43413761
3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726289
1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
CID 63566298
1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
CID 63554610
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726042
1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 116548661
1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 63411862

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one (CID 24726340) is 1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one is Cc1ccc(C)c(CCC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one?
The InChIKey is UCVLNFFAIKXADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-12-6-7-13(2)14(10-12)8-9-17(19)15-4-3-5-16(18)11-15/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one?
1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one has a molecular weight of 272.77 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).