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

C15H8O3 — CID 638309

IUPAC[1]benzofuro[3,2-c]chromen-6-one
SMILESO=c1oc2ccccc2c2oc3ccccc3c12
InChIInChI=1S/C15H8O3/c16-15-13-9-5-1-3-7-11(9)17-14(13)10-6-2-4-8-12(10)18-15/h1-8H
InChIKeyJBIZUYWOIKFETJ-UHFFFAOYSA-N
MW236.23 g/mol
LogP3.69
Rot. Bonds

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

[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 638309) has the molecular formula C15H8O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is [1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name[1]benzofuro[3,2-c]chromen-6-one
PubChem CID638309
Molecular FormulaC15H8O3
Molecular Weight236.23 g/mol
Exact Mass236.05
IUPAC Name[1]benzofuro[3,2-c]chromen-6-one
SMILESO=c1oc2ccccc2c2oc3ccccc3c12
InChIInChI=1S/C15H8O3/c16-15-13-9-5-1-3-7-11(9)17-14(13)10-6-2-4-8-12(10)18-15/h1-8H
InChIKeyJBIZUYWOIKFETJ-UHFFFAOYSA-N
XLogP3.69
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of [1]benzofuro[3,2-c]chromen-6-one (CID 638309) is [1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for [1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for [1]benzofuro[3,2-c]chromen-6-one is O=c1oc2ccccc2c2oc3ccccc3c12.
What is the InChIKey of [1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is JBIZUYWOIKFETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O3/c16-15-13-9-5-1-3-7-11(9)17-14(13)10-6-2-4-8-12(10)18-15/h1-8H.
What are the key properties of [1]benzofuro[3,2-c]chromen-6-one?
[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 236.23 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 638309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).