5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one

C15H14O3 — CID 707698

IUPAC5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one
SMILESCCc1cc(=O)oc2cc3oc(C)c(C)c3cc12
InChIInChI=1S/C15H14O3/c1-4-10-5-15(16)18-14-7-13-11(6-12(10)14)8(2)9(3)17-13/h5-7H,4H2,1-3H3
InChIKeyGARBLMXFSNEPTJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.72
Rot. Bonds1

About 5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one

5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one (PubChem CID 707698) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one
PubChem CID707698
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one
SMILESCCc1cc(=O)oc2cc3oc(C)c(C)c3cc12
InChIInChI=1S/C15H14O3/c1-4-10-5-15(16)18-14-7-13-11(6-12(10)14)8(2)9(3)17-13/h5-7H,4H2,1-3H3
InChIKeyGARBLMXFSNEPTJ-UHFFFAOYSA-N
XLogP3.72
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one (CID 707698) is 5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one is CCc1cc(=O)oc2cc3oc(C)c(C)c3cc12.
What is the InChIKey of 5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one?
The InChIKey is GARBLMXFSNEPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-4-10-5-15(16)18-14-7-13-11(6-12(10)14)8(2)9(3)17-13/h5-7H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one?
5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one has a molecular weight of 242.27 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 707698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).