1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one

C16H15ClO — CID 24725678

IUPAC1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClO/c1-12-4-2-5-13(10-12)8-9-16(18)14-6-3-7-15(17)11-14/h2-7,10-11H,8-9H2,1H3
InChIKeyZZEPFYOPBKHWMX-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.46
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one

1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one (PubChem CID 24725678) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
PubChem CID24725678
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClO/c1-12-4-2-5-13(10-12)8-9-16(18)14-6-3-7-15(17)11-14/h2-7,10-11H,8-9H2,1H3
InChIKeyZZEPFYOPBKHWMX-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726042
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726340
3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182
3-(3-methylphenyl)-1-pyrimidin-5-ylpropan-1-one
CID 105085449
1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725685
1-(3-chlorophenyl)-2-[(3-methylphenyl)methylsulfinyl]propan-1-one
CID 64635129
1-(2,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725684

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one (CID 24725678) is 1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one is Cc1cccc(CCC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one?
The InChIKey is ZZEPFYOPBKHWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-12-4-2-5-13(10-12)8-9-16(18)14-6-3-7-15(17)11-14/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one?
1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one has a molecular weight of 258.75 g/mol, XLogP of 4.46, 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-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 24725678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).