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

C12H8O5 — CID 3083726

IUPAC9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
SMILESCOc1c2ccoc2c(O)c2oc(=O)ccc12
InChIInChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3
InChIKeyMVJHUMZXIJPVHV-UHFFFAOYSA-N
MW232.19 g/mol
LogP2.25
Rot. Bonds1

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

9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one (PubChem CID 3083726) has the molecular formula C12H8O5 and a molecular weight of 232.19 g/mol. Its IUPAC name is 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
PubChem CID3083726
Molecular FormulaC12H8O5
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
SMILESCOc1c2ccoc2c(O)c2oc(=O)ccc12
InChIInChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3
InChIKeyMVJHUMZXIJPVHV-UHFFFAOYSA-N
XLogP2.25
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one?
The IUPAC name of 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one (CID 3083726) is 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one?
The canonical SMILES for 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one is COc1c2ccoc2c(O)c2oc(=O)ccc12.
What is the InChIKey of 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one?
The InChIKey is MVJHUMZXIJPVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3.
What are the key properties of 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one?
9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one has a molecular weight of 232.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 3083726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).