furo[3,2-g]chromen-7-one

C11H6O3 — CID 6199

IUPACfuro[3,2-g]chromen-7-one
SMILESO=c1ccc2cc3ccoc3cc2o1
InChIInChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
InChIKeyZCCUUQDIBDJBTK-UHFFFAOYSA-N
MW186.17 g/mol
LogP2.54
Rot. Bonds

About furo[3,2-g]chromen-7-one

furo[3,2-g]chromen-7-one (PubChem CID 6199) has the molecular formula C11H6O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Namefuro[3,2-g]chromen-7-one
PubChem CID6199
Molecular FormulaC11H6O3
Molecular Weight186.17 g/mol
Exact Mass186.03
IUPAC Namefuro[3,2-g]chromen-7-one
SMILESO=c1ccc2cc3ccoc3cc2o1
InChIInChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
InChIKeyZCCUUQDIBDJBTK-UHFFFAOYSA-N
XLogP2.54
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 4114
Trimethylpsoralen
CID 5585
Bergapten
CID 2355
Imperatorin
CID 10212
Isopsoralen
CID 10658
Isoimperatorin
CID 68081
Isopimpinellin
CID 68079
Khellin
CID 3828
Coumestrol
CID 5281707
Sphondin
CID 108104
Pimpinellin
CID 4825
Phellopterin
CID 98608

Frequently Asked Questions

What is the IUPAC name of furo[3,2-g]chromen-7-one?
The IUPAC name of furo[3,2-g]chromen-7-one (CID 6199) is furo[3,2-g]chromen-7-one.
What is the SMILES notation for furo[3,2-g]chromen-7-one?
The canonical SMILES for furo[3,2-g]chromen-7-one is O=c1ccc2cc3ccoc3cc2o1.
What is the InChIKey of furo[3,2-g]chromen-7-one?
The InChIKey is ZCCUUQDIBDJBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H.
What are the key properties of furo[3,2-g]chromen-7-one?
furo[3,2-g]chromen-7-one has a molecular weight of 186.17 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furo[3,2-g]chromen-7-one is sourced from PubChem (CID 6199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).