2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C25H18O5 — CID 162879710

IUPAC2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccccc1C1CC(=O)Oc2ccc3c(c21)OC(=Cc1ccccc1)C3=O
InChIInChI=1S/C25H18O5/c1-28-19-10-6-5-9-16(19)18-14-22(26)29-20-12-11-17-24(27)21(30-25(17)23(18)20)13-15-7-3-2-4-8-15/h2-13,18H,14H2,1H3
InChIKeyCEMUAKXFULLTDL-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.75
Rot. Bonds3

About 2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 162879710) has the molecular formula C25H18O5 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID162879710
Molecular FormulaC25H18O5
Molecular Weight398.41 g/mol
Exact Mass398.12
IUPAC Name2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccccc1C1CC(=O)Oc2ccc3c(c21)OC(=Cc1ccccc1)C3=O
InChIInChI=1S/C25H18O5/c1-28-19-10-6-5-9-16(19)18-14-22(26)29-20-12-11-17-24(27)21(30-25(17)23(18)20)13-15-7-3-2-4-8-15/h2-13,18H,14H2,1H3
InChIKeyCEMUAKXFULLTDL-UHFFFAOYSA-N
XLogP4.75
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-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-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 162879710) is 2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccccc1C1CC(=O)Oc2ccc3c(c21)OC(=Cc1ccccc1)C3=O.
What is the InChIKey of 2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is CEMUAKXFULLTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O5/c1-28-19-10-6-5-9-16(19)18-14-22(26)29-20-12-11-17-24(27)21(30-25(17)23(18)20)13-15-7-3-2-4-8-15/h2-13,18H,14H2,1H3.
What are the key properties of 2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 398.41 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 162879710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).