1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone

C23H20O2 — CID 141249588

IUPAC1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
SMILESCc1ccc(C(=O)Cc2ccccc2)c(C(=O)Cc2ccccc2)c1
InChIInChI=1S/C23H20O2/c1-17-12-13-20(22(24)15-18-8-4-2-5-9-18)21(14-17)23(25)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChIKeyLFZDPSDQXNJCJX-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.85
Rot. Bonds6

About 1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone

1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone (PubChem CID 141249588) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
PubChem CID141249588
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
SMILESCc1ccc(C(=O)Cc2ccccc2)c(C(=O)Cc2ccccc2)c1
InChIInChI=1S/C23H20O2/c1-17-12-13-20(22(24)15-18-8-4-2-5-9-18)21(14-17)23(25)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChIKeyLFZDPSDQXNJCJX-UHFFFAOYSA-N
XLogP4.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 59088943
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155
1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone
CID 55120466
1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966373
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
CID 116581383
bis(2-[2-(2-carboxyphenyl)-2-oxoethyl]-5-methylbenzoic acid);2-[2-(3-chloro-4-methylphenyl)acetyl]benzoic acid;methane
CID 158092311
2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone
CID 105078848

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone?
The IUPAC name of 1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone (CID 141249588) is 1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone?
The canonical SMILES for 1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone is Cc1ccc(C(=O)Cc2ccccc2)c(C(=O)Cc2ccccc2)c1.
What is the InChIKey of 1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone?
The InChIKey is LFZDPSDQXNJCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-17-12-13-20(22(24)15-18-8-4-2-5-9-18)21(14-17)23(25)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3.
What are the key properties of 1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone?
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone has a molecular weight of 328.41 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone is sourced from PubChem (CID 141249588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).