4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one

C22H18O4 — CID 907436

IUPAC4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one
SMILESCOc1cccc2cc(-c3cc(=O)oc4cc5c(cc34)CCCC5)oc12
InChIInChI=1S/C22H18O4/c1-24-18-8-4-7-15-11-20(26-22(15)18)17-12-21(23)25-19-10-14-6-3-2-5-13(14)9-16(17)19/h4,7-12H,2-3,5-6H2,1H3
InChIKeyKAJZBFVTDCPFNQ-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.09
Rot. Bonds2

About 4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one

4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one (PubChem CID 907436) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one.

Molecular Properties

Compound Name4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one
PubChem CID907436
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one
SMILESCOc1cccc2cc(-c3cc(=O)oc4cc5c(cc34)CCCC5)oc12
InChIInChI=1S/C22H18O4/c1-24-18-8-4-7-15-11-20(26-22(15)18)17-12-21(23)25-19-10-14-6-3-2-5-13(14)9-16(17)19/h4,7-12H,2-3,5-6H2,1H3
InChIKeyKAJZBFVTDCPFNQ-UHFFFAOYSA-N
XLogP5.09
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]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 4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one?
The IUPAC name of 4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one (CID 907436) is 4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one.
What is the SMILES notation for 4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one?
The canonical SMILES for 4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one is COc1cccc2cc(-c3cc(=O)oc4cc5c(cc34)CCCC5)oc12.
What is the InChIKey of 4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one?
The InChIKey is KAJZBFVTDCPFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-24-18-8-4-7-15-11-20(26-22(15)18)17-12-21(23)25-19-10-14-6-3-2-5-13(14)9-16(17)19/h4,7-12H,2-3,5-6H2,1H3.
What are the key properties of 4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one?
4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one has a molecular weight of 346.38 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1-benzofuran-2-yl)-6,7,8,9-tetrahydrobenzo[g]chromen-2-one is sourced from PubChem (CID 907436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).