4-hydroxyfuro[3,2-g]chromen-7-one

C11H6O4 — CID 5280371

IUPAC4-hydroxyfuro[3,2-g]chromen-7-one
SMILESO=c1ccc2c(O)c3ccoc3cc2o1
InChIInChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
InChIKeyGIJHDGJRTUSBJR-UHFFFAOYSA-N
MW202.17 g/mol
LogP2.24
Rot. Bonds

About 4-hydroxyfuro[3,2-g]chromen-7-one

4-hydroxyfuro[3,2-g]chromen-7-one (PubChem CID 5280371) has the molecular formula C11H6O4 and a molecular weight of 202.17 g/mol. Its IUPAC name is 4-hydroxyfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-hydroxyfuro[3,2-g]chromen-7-one
PubChem CID5280371
Molecular FormulaC11H6O4
Molecular Weight202.17 g/mol
Exact Mass202.03
IUPAC Name4-hydroxyfuro[3,2-g]chromen-7-one
SMILESO=c1ccc2c(O)c3ccoc3cc2o1
InChIInChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
InChIKeyGIJHDGJRTUSBJR-UHFFFAOYSA-N
XLogP2.24
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxyfuro[3,2-g]chromen-7-one?
The IUPAC name of 4-hydroxyfuro[3,2-g]chromen-7-one (CID 5280371) is 4-hydroxyfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 4-hydroxyfuro[3,2-g]chromen-7-one?
The canonical SMILES for 4-hydroxyfuro[3,2-g]chromen-7-one is O=c1ccc2c(O)c3ccoc3cc2o1.
What is the InChIKey of 4-hydroxyfuro[3,2-g]chromen-7-one?
The InChIKey is GIJHDGJRTUSBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H.
What are the key properties of 4-hydroxyfuro[3,2-g]chromen-7-one?
4-hydroxyfuro[3,2-g]chromen-7-one has a molecular weight of 202.17 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 5280371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).