3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one

C16H10O5 — CID 5319565

IUPAC3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCOc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21
InChIInChI=1S/C16H10O5/c1-19-9-3-5-10-13(7-9)20-15-11-4-2-8(17)6-12(11)21-16(18)14(10)15/h2-7,17H,1H3
InChIKeyHHEZPZWGHDOWCQ-UHFFFAOYSA-N
MW282.25 g/mol
LogP3.41
Rot. Bonds1

About 3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one

3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 5319565) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is 3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID5319565
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCOc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21
InChIInChI=1S/C16H10O5/c1-19-9-3-5-10-13(7-9)20-15-11-4-2-8(17)6-12(11)21-16(18)14(10)15/h2-7,17H,1H3
InChIKeyHHEZPZWGHDOWCQ-UHFFFAOYSA-N
XLogP3.41
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 53.41
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 3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one (CID 5319565) is 3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one is COc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21.
What is the InChIKey of 3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is HHEZPZWGHDOWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O5/c1-19-9-3-5-10-13(7-9)20-15-11-4-2-8(17)6-12(11)21-16(18)14(10)15/h2-7,17H,1H3.
What are the key properties of 3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one?
3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 282.25 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 5319565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).