(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one

C25H26O — CID 2249230

IUPAC(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1ccc([C@@H](CC(=O)c2c(C)cc(C)cc2C)c2ccccc2)cc1
InChIInChI=1S/C25H26O/c1-17-10-12-22(13-11-17)23(21-8-6-5-7-9-21)16-24(26)25-19(3)14-18(2)15-20(25)4/h5-15,23H,16H2,1-4H3/t23-/m0/s1
InChIKeyRATVLWMZYAIWKS-QHCPKHFHSA-N
MW342.48 g/mol
LogP6.33
Rot. Bonds5

About (3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one

(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 2249230) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is (3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID2249230
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1ccc([C@@H](CC(=O)c2c(C)cc(C)cc2C)c2ccccc2)cc1
InChIInChI=1S/C25H26O/c1-17-10-12-22(13-11-17)23(21-8-6-5-7-9-21)16-24(26)25-19(3)14-18(2)15-20(25)4/h5-15,23H,16H2,1-4H3/t23-/m0/s1
InChIKeyRATVLWMZYAIWKS-QHCPKHFHSA-N
XLogP6.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one
CID 21331743
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43413772
[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 23821920
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
CID 112996368
2,4-bis(4-methylphenyl)-1,1,5,5-tetraphenylpentan-3-one
CID 174794118
N-(2-chloro-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 114295626
3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one
CID 14871792

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of (3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one (CID 2249230) is (3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for (3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for (3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one is Cc1ccc([C@@H](CC(=O)c2c(C)cc(C)cc2C)c2ccccc2)cc1.
What is the InChIKey of (3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is RATVLWMZYAIWKS-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26O/c1-17-10-12-22(13-11-17)23(21-8-6-5-7-9-21)16-24(26)25-19(3)14-18(2)15-20(25)4/h5-15,23H,16H2,1-4H3/t23-/m0/s1.
What are the key properties of (3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one?
(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 342.48 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 2249230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).