8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one

C26H18O4 — CID 44553538

IUPAC8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1c(C)c2ccc3oc(C(=O)c4ccccc4)c(-c4ccccc4)c3c2oc1=O
InChIInChI=1S/C26H18O4/c1-15-16(2)26(28)30-24-19(15)13-14-20-22(24)21(17-9-5-3-6-10-17)25(29-20)23(27)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyDMXRKBWFMIKYSC-UHFFFAOYSA-N
MW394.43 g/mol
LogP6.05
Rot. Bonds3

About 8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one

8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one (PubChem CID 44553538) has the molecular formula C26H18O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one
PubChem CID44553538
Molecular FormulaC26H18O4
Molecular Weight394.43 g/mol
Exact Mass394.12
IUPAC Name8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1c(C)c2ccc3oc(C(=O)c4ccccc4)c(-c4ccccc4)c3c2oc1=O
InChIInChI=1S/C26H18O4/c1-15-16(2)26(28)30-24-19(15)13-14-20-22(24)21(17-9-5-3-6-10-17)25(29-20)23(27)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyDMXRKBWFMIKYSC-UHFFFAOYSA-N
XLogP6.05
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-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 8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one (CID 44553538) is 8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one is Cc1c(C)c2ccc3oc(C(=O)c4ccccc4)c(-c4ccccc4)c3c2oc1=O.
What is the InChIKey of 8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one?
The InChIKey is DMXRKBWFMIKYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O4/c1-15-16(2)26(28)30-24-19(15)13-14-20-22(24)21(17-9-5-3-6-10-17)25(29-20)23(27)18-11-7-4-8-12-18/h3-14H,1-2H3.
What are the key properties of 8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one?
8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 394.43 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 44553538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).