4-cyclopent-2-en-1-yl-4-phenylbutan-2-one

C15H18O — CID 24977181

IUPAC4-cyclopent-2-en-1-yl-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)C1C=CCC1
InChIInChI=1S/C15H18O/c1-12(16)11-15(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-5,7-9,14-15H,6,10-11H2,1H3
InChIKeyZQIHTTAXYDSQGL-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.72
Rot. Bonds4

About 4-cyclopent-2-en-1-yl-4-phenylbutan-2-one

4-cyclopent-2-en-1-yl-4-phenylbutan-2-one (PubChem CID 24977181) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-cyclopent-2-en-1-yl-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-cyclopent-2-en-1-yl-4-phenylbutan-2-one
PubChem CID24977181
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name4-cyclopent-2-en-1-yl-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)C1C=CCC1
InChIInChI=1S/C15H18O/c1-12(16)11-15(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-5,7-9,14-15H,6,10-11H2,1H3
InChIKeyZQIHTTAXYDSQGL-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol
CID 129405457
methyl 2-cyclopent-2-en-1-yl-2-phenylacetate
CID 10775105
2-[(1R)-3-oxo-1-phenylbutyl]indene-1,3-dione
CID 98056346
2-(3-oxo-1-phenylbutyl)indene-1,3-dione
CID 519483
(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one
CID 7385778
cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene
CID 145163043
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363
(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
CID 55301012
5-(1-phenylhepta-3,5-dienyl)cyclohepta-1,3-diene
CID 91290814
4-phenyl-4-phosphanylbutan-2-one
CID 175348302

Frequently Asked Questions

What is the IUPAC name of 4-cyclopent-2-en-1-yl-4-phenylbutan-2-one?
The IUPAC name of 4-cyclopent-2-en-1-yl-4-phenylbutan-2-one (CID 24977181) is 4-cyclopent-2-en-1-yl-4-phenylbutan-2-one.
What is the SMILES notation for 4-cyclopent-2-en-1-yl-4-phenylbutan-2-one?
The canonical SMILES for 4-cyclopent-2-en-1-yl-4-phenylbutan-2-one is CC(=O)CC(c1ccccc1)C1C=CCC1.
What is the InChIKey of 4-cyclopent-2-en-1-yl-4-phenylbutan-2-one?
The InChIKey is ZQIHTTAXYDSQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-12(16)11-15(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-5,7-9,14-15H,6,10-11H2,1H3.
What are the key properties of 4-cyclopent-2-en-1-yl-4-phenylbutan-2-one?
4-cyclopent-2-en-1-yl-4-phenylbutan-2-one has a molecular weight of 214.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopent-2-en-1-yl-4-phenylbutan-2-one is sourced from PubChem (CID 24977181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).