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

C17H12O5 — CID 2785731

IUPAC3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCOc1ccc2c(c1)oc(=O)c1c3ccc(OC)cc3oc21
InChIInChI=1S/C17H12O5/c1-19-9-3-5-11-13(7-9)21-16-12-6-4-10(20-2)8-14(12)22-17(18)15(11)16/h3-8H,1-2H3
InChIKeyPXHLPCBBXPHBHP-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.71
Rot. Bonds2

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

3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 2785731) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID2785731
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESCOc1ccc2c(c1)oc(=O)c1c3ccc(OC)cc3oc21
InChIInChI=1S/C17H12O5/c1-19-9-3-5-11-13(7-9)21-16-12-6-4-10(20-2)8-14(12)22-17(18)15(11)16/h3-8H,1-2H3
InChIKeyPXHLPCBBXPHBHP-UHFFFAOYSA-N
XLogP3.71
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
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-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one (CID 2785731) is 3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one is COc1ccc2c(c1)oc(=O)c1c3ccc(OC)cc3oc21.
What is the InChIKey of 3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is PXHLPCBBXPHBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O5/c1-19-9-3-5-11-13(7-9)21-16-12-6-4-10(20-2)8-14(12)22-17(18)15(11)16/h3-8H,1-2H3.
What are the key properties of 3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one?
3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 296.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 2785731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).