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

C17H17ClO — CID 24726042

IUPAC3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one
SMILESCc1cc(C)cc(C(=O)CCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClO/c1-12-8-13(2)10-15(9-12)17(19)7-6-14-4-3-5-16(18)11-14/h3-5,8-11H,6-7H2,1-2H3
InChIKeyLPBICGCKERRRMC-UHFFFAOYSA-N
MW272.77 g/mol
LogP4.77
Rot. Bonds4

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

3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one (PubChem CID 24726042) has the molecular formula C17H17ClO and a molecular weight of 272.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one
PubChem CID24726042
Molecular FormulaC17H17ClO
Molecular Weight272.77 g/mol
Exact Mass272.10
IUPAC Name3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one
SMILESCc1cc(C)cc(C(=O)CCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClO/c1-12-8-13(2)10-15(9-12)17(19)7-6-14-4-3-5-16(18)11-14/h3-5,8-11H,6-7H2,1-2H3
InChIKeyLPBICGCKERRRMC-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one (CID 24726042) is 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one is Cc1cc(C)cc(C(=O)CCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one?
The InChIKey is LPBICGCKERRRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-12-8-13(2)10-15(9-12)17(19)7-6-14-4-3-5-16(18)11-14/h3-5,8-11H,6-7H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one?
3-(3-chlorophenyl)-1-(3,5-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 3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).