3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one

C17H12O6 — CID 5488650

IUPAC3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCOc1cc(OC)c2c(c1)oc1c3ccc(O)cc3oc(=O)c12
InChIInChI=1S/C17H12O6/c1-20-9-6-12(21-2)14-13(7-9)22-16-10-4-3-8(18)5-11(10)23-17(19)15(14)16/h3-7,18H,1-2H3
InChIKeyGYNHMEBOILXPQT-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.42
Rot. Bonds2

About 3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one

3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 5488650) has the molecular formula C17H12O6 and a molecular weight of 312.28 g/mol. Its IUPAC name is 3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID5488650
Molecular FormulaC17H12O6
Molecular Weight312.28 g/mol
Exact Mass312.06
IUPAC Name3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCOc1cc(OC)c2c(c1)oc1c3ccc(O)cc3oc(=O)c12
InChIInChI=1S/C17H12O6/c1-20-9-6-12(21-2)14-13(7-9)22-16-10-4-3-8(18)5-11(10)23-17(19)15(14)16/h3-7,18H,1-2H3
InChIKeyGYNHMEBOILXPQT-UHFFFAOYSA-N
XLogP3.42
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Coumestrol
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Sterigmatocystin
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Urolithin A
CID 5488186
Benziodarone
CID 6237
Alternariol
CID 5359485
Benzarone
CID 255968
Alternariol monomethyl ether
CID 5360741

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one (CID 5488650) is 3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one is COc1cc(OC)c2c(c1)oc1c3ccc(O)cc3oc(=O)c12.
What is the InChIKey of 3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is GYNHMEBOILXPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O6/c1-20-9-6-12(21-2)14-13(7-9)22-16-10-4-3-8(18)5-11(10)23-17(19)15(14)16/h3-7,18H,1-2H3.
What are the key properties of 3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one?
3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 312.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 5488650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).