1-(4-methylphenyl)-4-phenylbutan-2-one

C17H18O — CID 4268528

IUPAC1-(4-methylphenyl)-4-phenylbutan-2-one
SMILESCc1ccc(CC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H18O/c1-14-7-9-16(10-8-14)13-17(18)12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyCWVFJKUWJXMJOY-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.74
Rot. Bonds5

About 1-(4-methylphenyl)-4-phenylbutan-2-one

1-(4-methylphenyl)-4-phenylbutan-2-one (PubChem CID 4268528) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-phenylbutan-2-one
PubChem CID4268528
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-(4-methylphenyl)-4-phenylbutan-2-one
SMILESCc1ccc(CC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H18O/c1-14-7-9-16(10-8-14)13-17(18)12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyCWVFJKUWJXMJOY-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-methylphenyl)-4-phenylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-phenylbutan-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-phenylbutan-2-one (CID 4268528) is 1-(4-methylphenyl)-4-phenylbutan-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-phenylbutan-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-phenylbutan-2-one is Cc1ccc(CC(=O)CCc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-phenylbutan-2-one?
The InChIKey is CWVFJKUWJXMJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-14-7-9-16(10-8-14)13-17(18)12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-phenylbutan-2-one?
1-(4-methylphenyl)-4-phenylbutan-2-one has a molecular weight of 238.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-phenylbutan-2-one is sourced from PubChem (CID 4268528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).