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

C15H8O6 — CID 5491648

IUPAC1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESO=c1oc2cc(O)cc(O)c2c2oc3cc(O)ccc3c12
InChIInChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)20-14-12(8)15(19)21-11-5-7(17)3-9(18)13(11)14/h1-5,16-18H
InChIKeyWIRRQLQRDSREEG-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.81
Rot. Bonds

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

1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 5491648) has the molecular formula C15H8O6 and a molecular weight of 284.22 g/mol. Its IUPAC name is 1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID5491648
Molecular FormulaC15H8O6
Molecular Weight284.22 g/mol
Exact Mass284.03
IUPAC Name1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESO=c1oc2cc(O)cc(O)c2c2oc3cc(O)ccc3c12
InChIInChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)20-14-12(8)15(19)21-11-5-7(17)3-9(18)13(11)14/h1-5,16-18H
InChIKeyWIRRQLQRDSREEG-UHFFFAOYSA-N
XLogP2.81
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.81
H-Bond Donors ≤ 53
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 1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one (CID 5491648) is 1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one is O=c1oc2cc(O)cc(O)c2c2oc3cc(O)ccc3c12.
What is the InChIKey of 1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is WIRRQLQRDSREEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)20-14-12(8)15(19)21-11-5-7(17)3-9(18)13(11)14/h1-5,16-18H.
What are the key properties of 1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 284.22 g/mol, XLogP of 2.81, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 5491648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).