2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione

C15H12O2 — CID 3015195

IUPAC2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione
SMILESC=CC(C1=CC(=O)C=CC1=O)c1ccccc1
InChIInChI=1S/C15H12O2/c1-2-13(11-6-4-3-5-7-11)14-10-12(16)8-9-15(14)17/h2-10,13H,1H2
InChIKeyGHCDJBVCFINEBQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.59
Rot. Bonds3

About 2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione

2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 3015195) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID3015195
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione
SMILESC=CC(C1=CC(=O)C=CC1=O)c1ccccc1
InChIInChI=1S/C15H12O2/c1-2-13(11-6-4-3-5-7-11)14-10-12(16)8-9-15(14)17/h2-10,13H,1H2
InChIKeyGHCDJBVCFINEBQ-UHFFFAOYSA-N
XLogP2.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione 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 2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione (CID 3015195) is 2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione is C=CC(C1=CC(=O)C=CC1=O)c1ccccc1.
What is the InChIKey of 2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is GHCDJBVCFINEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-2-13(11-6-4-3-5-7-11)14-10-12(16)8-9-15(14)17/h2-10,13H,1H2.
What are the key properties of 2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione?
2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 224.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 3015195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).