10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one

C21H12O3 — CID 707803

IUPAC10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one
SMILESO=c1oc2cc3occ(-c4ccccc4)c3cc2c2ccccc12
InChIInChI=1S/C21H12O3/c22-21-15-9-5-4-8-14(15)16-10-17-18(13-6-2-1-3-7-13)12-23-19(17)11-20(16)24-21/h1-12H
InChIKeyUMXAXPNBOLWNDT-UHFFFAOYSA-N
MW312.32 g/mol
LogP5.36
Rot. Bonds1

About 10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one

10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one (PubChem CID 707803) has the molecular formula C21H12O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is 10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one.

Molecular Properties

Compound Name10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one
PubChem CID707803
Molecular FormulaC21H12O3
Molecular Weight312.32 g/mol
Exact Mass312.08
IUPAC Name10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one
SMILESO=c1oc2cc3occ(-c4ccccc4)c3cc2c2ccccc12
InChIInChI=1S/C21H12O3/c22-21-15-9-5-4-8-14(15)16-10-17-18(13-6-2-1-3-7-13)12-23-19(17)11-20(16)24-21/h1-12H
InChIKeyUMXAXPNBOLWNDT-UHFFFAOYSA-N
XLogP5.36
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.32
LogP ≤ 55.36
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'}

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one?
The IUPAC name of 10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one (CID 707803) is 10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one.
What is the SMILES notation for 10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one?
The canonical SMILES for 10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one is O=c1oc2cc3occ(-c4ccccc4)c3cc2c2ccccc12.
What is the InChIKey of 10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one?
The InChIKey is UMXAXPNBOLWNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12O3/c22-21-15-9-5-4-8-14(15)16-10-17-18(13-6-2-1-3-7-13)12-23-19(17)11-20(16)24-21/h1-12H.
What are the key properties of 10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one?
10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one has a molecular weight of 312.32 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one is sourced from PubChem (CID 707803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).