5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one

C24H28O — CID 162278138

IUPAC5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one
SMILESCC(=O)CCC(=C(c1ccccc1)c1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C24H28O/c1-18-12-15-22(16-13-18)24(21-10-4-3-5-11-21)23(17-14-19(2)25)20-8-6-7-9-20/h3-5,10-13,15-16,20H,6-9,14,17H2,1-2H3
InChIKeyJLBIXKDHALFDQX-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.36
Rot. Bonds6

About 5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one

5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one (PubChem CID 162278138) has the molecular formula C24H28O and a molecular weight of 332.49 g/mol. Its IUPAC name is 5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one.

Molecular Properties

Compound Name5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one
PubChem CID162278138
Molecular FormulaC24H28O
Molecular Weight332.49 g/mol
Exact Mass332.21
IUPAC Name5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one
SMILESCC(=O)CCC(=C(c1ccccc1)c1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C24H28O/c1-18-12-15-22(16-13-18)24(21-10-4-3-5-11-21)23(17-14-19(2)25)20-8-6-7-9-20/h3-5,10-13,15-16,20H,6-9,14,17H2,1-2H3
InChIKeyJLBIXKDHALFDQX-UHFFFAOYSA-N
XLogP6.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one?
The IUPAC name of 5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one (CID 162278138) is 5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one.
What is the SMILES notation for 5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one?
The canonical SMILES for 5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one is CC(=O)CCC(=C(c1ccccc1)c1ccc(C)cc1)C1CCCC1.
What is the InChIKey of 5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one?
The InChIKey is JLBIXKDHALFDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O/c1-18-12-15-22(16-13-18)24(21-10-4-3-5-11-21)23(17-14-19(2)25)20-8-6-7-9-20/h3-5,10-13,15-16,20H,6-9,14,17H2,1-2H3.
What are the key properties of 5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one?
5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one has a molecular weight of 332.49 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one is sourced from PubChem (CID 162278138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).