10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one

C21H11ClO3 — CID 707805

IUPAC10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one
SMILESO=c1oc2cc3occ(-c4ccc(Cl)cc4)c3cc2c2ccccc12
InChIInChI=1S/C21H11ClO3/c22-13-7-5-12(6-8-13)18-11-24-19-10-20-16(9-17(18)19)14-3-1-2-4-15(14)21(23)25-20/h1-11H
InChIKeyRQVCFCYCMAVXFD-UHFFFAOYSA-N
MW346.77 g/mol
LogP6.01
Rot. Bonds1

About 10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one

10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one (PubChem CID 707805) has the molecular formula C21H11ClO3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one.

Molecular Properties

Compound Name10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one
PubChem CID707805
Molecular FormulaC21H11ClO3
Molecular Weight346.77 g/mol
Exact Mass346.04
IUPAC Name10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one
SMILESO=c1oc2cc3occ(-c4ccc(Cl)cc4)c3cc2c2ccccc12
InChIInChI=1S/C21H11ClO3/c22-13-7-5-12(6-8-13)18-11-24-19-10-20-16(9-17(18)19)14-3-1-2-4-15(14)21(23)25-20/h1-11H
InChIKeyRQVCFCYCMAVXFD-UHFFFAOYSA-N
XLogP6.01
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.77
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one 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 10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one?
The IUPAC name of 10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one (CID 707805) is 10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one.
What is the SMILES notation for 10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one?
The canonical SMILES for 10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one is O=c1oc2cc3occ(-c4ccc(Cl)cc4)c3cc2c2ccccc12.
What is the InChIKey of 10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one?
The InChIKey is RQVCFCYCMAVXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClO3/c22-13-7-5-12(6-8-13)18-11-24-19-10-20-16(9-17(18)19)14-3-1-2-4-15(14)21(23)25-20/h1-11H.
What are the key properties of 10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one?
10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one has a molecular weight of 346.77 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one is sourced from PubChem (CID 707805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).