1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone

C21H18O — CID 20716213

IUPAC1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C21H18O/c1-15-14-20(12-13-21(15)16(2)22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyNTGZBCXQJYJDTE-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.53
Rot. Bonds3

About 1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone

1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone (PubChem CID 20716213) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
PubChem CID20716213
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C21H18O/c1-15-14-20(12-13-21(15)16(2)22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyNTGZBCXQJYJDTE-UHFFFAOYSA-N
XLogP5.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone 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-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone?
The IUPAC name of 1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone (CID 20716213) is 1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1C.
What is the InChIKey of 1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone?
The InChIKey is NTGZBCXQJYJDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-15-14-20(12-13-21(15)16(2)22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14H,1-2H3.
What are the key properties of 1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone?
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone has a molecular weight of 286.37 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone is sourced from PubChem (CID 20716213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).