4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one

C25H18O9 — CID 3080647

IUPAC4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one
SMILESCOc1c2ccoc2c(OC)c2oc(=O)ccc12.COc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C13H10O5.C12H8O4/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11;1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h3-6H,1-2H3;2-6H,1H3
InChIKeyGIQRBVVYHBZHIU-UHFFFAOYSA-N
MW462.41 g/mol
LogP5.10
Rot. Bonds3

About 4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one

4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one (PubChem CID 3080647) has the molecular formula C25H18O9 and a molecular weight of 462.41 g/mol. Its IUPAC name is 4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one
PubChem CID3080647
Molecular FormulaC25H18O9
Molecular Weight462.41 g/mol
Exact Mass462.10
IUPAC Name4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one
SMILESCOc1c2ccoc2c(OC)c2oc(=O)ccc12.COc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C13H10O5.C12H8O4/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11;1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h3-6H,1-2H3;2-6H,1H3
InChIKeyGIQRBVVYHBZHIU-UHFFFAOYSA-N
XLogP5.10
TPSA114.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one?
The IUPAC name of 4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one (CID 3080647) is 4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one?
The canonical SMILES for 4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one is COc1c2ccoc2c(OC)c2oc(=O)ccc12.COc1c2ccoc2cc2oc(=O)ccc12.
What is the InChIKey of 4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one?
The InChIKey is GIQRBVVYHBZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O5.C12H8O4/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11;1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h3-6H,1-2H3;2-6H,1H3.
What are the key properties of 4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one?
4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one has a molecular weight of 462.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 3080647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).