3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene

C24H20O — CID 102443866

IUPAC3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene
SMILESC=CC(C1=C(c2ccccc2)OCc2ccccc21)c1ccccc1
InChIInChI=1S/C24H20O/c1-2-21(18-11-5-3-6-12-18)23-22-16-10-9-15-20(22)17-25-24(23)19-13-7-4-8-14-19/h2-16,21H,1,17H2
InChIKeyILPCTHKISNHERH-UHFFFAOYSA-N
MW324.42 g/mol
LogP6.05
Rot. Bonds4

About 3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene

3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene (PubChem CID 102443866) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene.

Molecular Properties

Compound Name3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene
PubChem CID102443866
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene
SMILESC=CC(C1=C(c2ccccc2)OCc2ccccc21)c1ccccc1
InChIInChI=1S/C24H20O/c1-2-21(18-11-5-3-6-12-18)23-22-16-10-9-15-20(22)17-25-24(23)19-13-7-4-8-14-19/h2-16,21H,1,17H2
InChIKeyILPCTHKISNHERH-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene 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 3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene?
The IUPAC name of 3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene (CID 102443866) is 3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene.
What is the SMILES notation for 3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene?
The canonical SMILES for 3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene is C=CC(C1=C(c2ccccc2)OCc2ccccc21)c1ccccc1.
What is the InChIKey of 3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene?
The InChIKey is ILPCTHKISNHERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O/c1-2-21(18-11-5-3-6-12-18)23-22-16-10-9-15-20(22)17-25-24(23)19-13-7-4-8-14-19/h2-16,21H,1,17H2.
What are the key properties of 3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene?
3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene has a molecular weight of 324.42 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(1-phenylprop-2-enyl)-1H-isochromene is sourced from PubChem (CID 102443866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).