1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone

C24H28O — CID 102576333

IUPAC1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone
SMILESCC1=C(Cc2ccc(C)cc2)C(CC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C24H28O/c1-17-10-12-19(13-11-17)14-22-18(2)24(3,4)16-21(22)15-23(25)20-8-6-5-7-9-20/h5-13,21H,14-16H2,1-4H3
InChIKeyJNXBJGOCKHQWCC-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.17
Rot. Bonds5

About 1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone

1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone (PubChem CID 102576333) has the molecular formula C24H28O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone
PubChem CID102576333
Molecular FormulaC24H28O
Molecular Weight332.49 g/mol
Exact Mass332.21
IUPAC Name1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone
SMILESCC1=C(Cc2ccc(C)cc2)C(CC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C24H28O/c1-17-10-12-19(13-11-17)14-22-18(2)24(3,4)16-21(22)15-23(25)20-8-6-5-7-9-20/h5-13,21H,14-16H2,1-4H3
InChIKeyJNXBJGOCKHQWCC-UHFFFAOYSA-N
XLogP6.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone?
The IUPAC name of 1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone (CID 102576333) is 1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone.
What is the SMILES notation for 1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone?
The canonical SMILES for 1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone is CC1=C(Cc2ccc(C)cc2)C(CC(=O)c2ccccc2)CC1(C)C.
What is the InChIKey of 1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone?
The InChIKey is JNXBJGOCKHQWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O/c1-17-10-12-19(13-11-17)14-22-18(2)24(3,4)16-21(22)15-23(25)20-8-6-5-7-9-20/h5-13,21H,14-16H2,1-4H3.
What are the key properties of 1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone?
1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone has a molecular weight of 332.49 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3,4,4-trimethyl-2-[(4-methylphenyl)methyl]cyclopent-2-en-1-yl]ethanone is sourced from PubChem (CID 102576333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).