4-phenyl-5-prop-2-enyloxolan-2-one

C13H14O2 — CID 14448606

IUPAC4-phenyl-5-prop-2-enyloxolan-2-one
SMILESC=CCC1OC(=O)CC1c1ccccc1
InChIInChI=1S/C13H14O2/c1-2-6-12-11(9-13(14)15-12)10-7-4-3-5-8-10/h2-5,7-8,11-12H,1,6,9H2
InChIKeyCGCVKYSMNIMFGX-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.66
Rot. Bonds3

About 4-phenyl-5-prop-2-enyloxolan-2-one

4-phenyl-5-prop-2-enyloxolan-2-one (PubChem CID 14448606) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-phenyl-5-prop-2-enyloxolan-2-one.

Molecular Properties

Compound Name4-phenyl-5-prop-2-enyloxolan-2-one
PubChem CID14448606
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name4-phenyl-5-prop-2-enyloxolan-2-one
SMILESC=CCC1OC(=O)CC1c1ccccc1
InChIInChI=1S/C13H14O2/c1-2-6-12-11(9-13(14)15-12)10-7-4-3-5-8-10/h2-5,7-8,11-12H,1,6,9H2
InChIKeyCGCVKYSMNIMFGX-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-phenyl-5-prop-2-enyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
5-(bromomethyl)-4-phenyloxolan-2-one
CID 59051964
(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
CID 11141751
[(1S,2R)-2-prop-2-enylcyclohexyl]benzene
CID 101198941
4-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 144706053
4-(4-bromophenyl)-5-phenyloxolan-2-one
CID 144706057
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
(4R,5S,6S)-4-phenyl-6-(phenylselanylmethyl)-5-propan-2-yloxan-2-one
CID 15349188
(3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole
CID 10443802
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
CID 15448194
(4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one
CID 177413972
(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol
CID 12996147

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-prop-2-enyloxolan-2-one?
The IUPAC name of 4-phenyl-5-prop-2-enyloxolan-2-one (CID 14448606) is 4-phenyl-5-prop-2-enyloxolan-2-one.
What is the SMILES notation for 4-phenyl-5-prop-2-enyloxolan-2-one?
The canonical SMILES for 4-phenyl-5-prop-2-enyloxolan-2-one is C=CCC1OC(=O)CC1c1ccccc1.
What is the InChIKey of 4-phenyl-5-prop-2-enyloxolan-2-one?
The InChIKey is CGCVKYSMNIMFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-6-12-11(9-13(14)15-12)10-7-4-3-5-8-10/h2-5,7-8,11-12H,1,6,9H2.
What are the key properties of 4-phenyl-5-prop-2-enyloxolan-2-one?
4-phenyl-5-prop-2-enyloxolan-2-one has a molecular weight of 202.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-prop-2-enyloxolan-2-one is sourced from PubChem (CID 14448606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).