2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one

C23H26O — CID 71372881

IUPAC2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one
SMILESCCCC1C(=O)C(c2ccccc2)=C(c2ccccc2)C1CCC
InChIInChI=1S/C23H26O/c1-3-11-19-20(12-4-2)23(24)22(18-15-9-6-10-16-18)21(19)17-13-7-5-8-14-17/h5-10,13-16,19-20H,3-4,11-12H2,1-2H3
InChIKeyXQBDYRWWYGJQCE-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.01
Rot. Bonds6

About 2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one

2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one (PubChem CID 71372881) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one
PubChem CID71372881
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one
SMILESCCCC1C(=O)C(c2ccccc2)=C(c2ccccc2)C1CCC
InChIInChI=1S/C23H26O/c1-3-11-19-20(12-4-2)23(24)22(18-15-9-6-10-16-18)21(19)17-13-7-5-8-14-17/h5-10,13-16,19-20H,3-4,11-12H2,1-2H3
InChIKeyXQBDYRWWYGJQCE-UHFFFAOYSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one?
The IUPAC name of 2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one (CID 71372881) is 2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one.
What is the SMILES notation for 2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one?
The canonical SMILES for 2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one is CCCC1C(=O)C(c2ccccc2)=C(c2ccccc2)C1CCC.
What is the InChIKey of 2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one?
The InChIKey is XQBDYRWWYGJQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-3-11-19-20(12-4-2)23(24)22(18-15-9-6-10-16-18)21(19)17-13-7-5-8-14-17/h5-10,13-16,19-20H,3-4,11-12H2,1-2H3.
What are the key properties of 2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one?
2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one has a molecular weight of 318.46 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one is sourced from PubChem (CID 71372881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).