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

C15H8O5 — CID 5281707

IUPAC3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12
InChIInChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChIKeyZZIALNLLNHEQPJ-UHFFFAOYSA-N
MW268.22 g/mol
LogP3.10
Rot. Bonds

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

3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 5281707) has the molecular formula C15H8O5 and a molecular weight of 268.22 g/mol. Its IUPAC name is 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID5281707
Molecular FormulaC15H8O5
Molecular Weight268.22 g/mol
Exact Mass268.04
IUPAC Name3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12
InChIInChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChIKeyZZIALNLLNHEQPJ-UHFFFAOYSA-N
XLogP3.10
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 53.10
H-Bond Donors ≤ 52
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 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one (CID 5281707) is 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one is O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12.
What is the InChIKey of 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is ZZIALNLLNHEQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H.
What are the key properties of 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 268.22 g/mol, XLogP of 3.10, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 5281707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).