3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one

C16H10O6 — CID 5487671

IUPAC3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCOc1cc(O)c2c(c1)oc1c3ccc(O)cc3oc(=O)c12
InChIInChI=1S/C16H10O6/c1-20-8-5-10(18)13-12(6-8)21-15-9-3-2-7(17)4-11(9)22-16(19)14(13)15/h2-6,17-18H,1H3
InChIKeyYFVNQUXNYCREJW-UHFFFAOYSA-N
MW298.25 g/mol
LogP3.11
Rot. Bonds1

About 3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one

3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 5487671) has the molecular formula C16H10O6 and a molecular weight of 298.25 g/mol. Its IUPAC name is 3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID5487671
Molecular FormulaC16H10O6
Molecular Weight298.25 g/mol
Exact Mass298.05
IUPAC Name3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCOc1cc(O)c2c(c1)oc1c3ccc(O)cc3oc(=O)c12
InChIInChI=1S/C16H10O6/c1-20-8-5-10(18)13-12(6-8)21-15-9-3-2-7(17)4-11(9)22-16(19)14(13)15/h2-6,17-18H,1H3
InChIKeyYFVNQUXNYCREJW-UHFFFAOYSA-N
XLogP3.11
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one (CID 5487671) is 3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one is COc1cc(O)c2c(c1)oc1c3ccc(O)cc3oc(=O)c12.
What is the InChIKey of 3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is YFVNQUXNYCREJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O6/c1-20-8-5-10(18)13-12(6-8)21-15-9-3-2-7(17)4-11(9)22-16(19)14(13)15/h2-6,17-18H,1H3.
What are the key properties of 3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one?
3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 298.25 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 5487671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).