prop-2-enyl 2-phenylacetate

C11H12O2 — CID 15717

IUPACprop-2-enyl 2-phenylacetate
SMILESC=CCOC(=O)Cc1ccccc1
InChIInChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKeyZCDYAMJXVAUTIM-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.96
Rot. Bonds4

About prop-2-enyl 2-phenylacetate

prop-2-enyl 2-phenylacetate (PubChem CID 15717) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is prop-2-enyl 2-phenylacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-phenylacetate
PubChem CID15717
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Nameprop-2-enyl 2-phenylacetate
SMILESC=CCOC(=O)Cc1ccccc1
InChIInChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKeyZCDYAMJXVAUTIM-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-phenylacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-phenylacetate?
The IUPAC name of prop-2-enyl 2-phenylacetate (CID 15717) is prop-2-enyl 2-phenylacetate.
What is the SMILES notation for prop-2-enyl 2-phenylacetate?
The canonical SMILES for prop-2-enyl 2-phenylacetate is C=CCOC(=O)Cc1ccccc1.
What is the InChIKey of prop-2-enyl 2-phenylacetate?
The InChIKey is ZCDYAMJXVAUTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2.
What are the key properties of prop-2-enyl 2-phenylacetate?
prop-2-enyl 2-phenylacetate has a molecular weight of 176.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-phenylacetate is sourced from PubChem (CID 15717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).