6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one

C25H18O5 — CID 4913756

IUPAC6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one
SMILESCOc1ccc(-c2cc3cc4c(-c5ccccc5)coc4cc3oc2=O)cc1OC
InChIInChI=1S/C25H18O5/c1-27-21-9-8-16(12-24(21)28-2)18-10-17-11-19-20(15-6-4-3-5-7-15)14-29-23(19)13-22(17)30-25(18)26/h3-14H,1-2H3
InChIKeySQPDDWFZCWLSFY-UHFFFAOYSA-N
MW398.41 g/mol
LogP5.89
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one

6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one (PubChem CID 4913756) has the molecular formula C25H18O5 and a molecular weight of 398.41 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one
PubChem CID4913756
Molecular FormulaC25H18O5
Molecular Weight398.41 g/mol
Exact Mass398.12
IUPAC Name6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one
SMILESCOc1ccc(-c2cc3cc4c(-c5ccccc5)coc4cc3oc2=O)cc1OC
InChIInChI=1S/C25H18O5/c1-27-21-9-8-16(12-24(21)28-2)18-10-17-11-19-20(15-6-4-3-5-7-15)14-29-23(19)13-22(17)30-25(18)26/h3-14H,1-2H3
InChIKeySQPDDWFZCWLSFY-UHFFFAOYSA-N
XLogP5.89
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-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 6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one (CID 4913756) is 6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one is COc1ccc(-c2cc3cc4c(-c5ccccc5)coc4cc3oc2=O)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one?
The InChIKey is SQPDDWFZCWLSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O5/c1-27-21-9-8-16(12-24(21)28-2)18-10-17-11-19-20(15-6-4-3-5-7-15)14-29-23(19)13-22(17)30-25(18)26/h3-14H,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one?
6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one has a molecular weight of 398.41 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-phenylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 4913756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).