4-(furan-3-yl)chromen-2-one

C13H8O3 — CID 139774091

IUPAC4-(furan-3-yl)chromen-2-one
SMILESO=c1cc(-c2ccoc2)c2ccccc2o1
InChIInChI=1S/C13H8O3/c14-13-7-11(9-5-6-15-8-9)10-3-1-2-4-12(10)16-13/h1-8H
InChIKeyDULXYKZZBLIJJV-UHFFFAOYSA-N
MW212.20 g/mol
LogP3.05
Rot. Bonds1

About 4-(furan-3-yl)chromen-2-one

4-(furan-3-yl)chromen-2-one (PubChem CID 139774091) has the molecular formula C13H8O3 and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-(furan-3-yl)chromen-2-one.

Molecular Properties

Compound Name4-(furan-3-yl)chromen-2-one
PubChem CID139774091
Molecular FormulaC13H8O3
Molecular Weight212.20 g/mol
Exact Mass212.05
IUPAC Name4-(furan-3-yl)chromen-2-one
SMILESO=c1cc(-c2ccoc2)c2ccccc2o1
InChIInChI=1S/C13H8O3/c14-13-7-11(9-5-6-15-8-9)10-3-1-2-4-12(10)16-13/h1-8H
InChIKeyDULXYKZZBLIJJV-UHFFFAOYSA-N
XLogP3.05
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 53.05
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

4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
4-(3-methoxyphenyl)chromen-2-one
CID 10538749
4-[3-(bromomethyl)phenyl]chromen-2-one
CID 174877347
4-(5-phenylthiophen-2-yl)chromen-2-one
CID 135259683
4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one
CID 135259642
4-(4-butoxyphenyl)chromen-2-one
CID 102166344
4-(2,5-dimethylthiophen-3-yl)chromen-2-one
CID 58882738
4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one
CID 151696386
4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one
CID 135259598
5-phenylchromen-2-one
CID 90255348
dimethyltin;4-methylchromen-2-one
CID 175284443
6-(2-oxochromen-4-yl)-1,3-benzodioxole-5-carbaldehyde
CID 142966260

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)chromen-2-one?
The IUPAC name of 4-(furan-3-yl)chromen-2-one (CID 139774091) is 4-(furan-3-yl)chromen-2-one.
What is the SMILES notation for 4-(furan-3-yl)chromen-2-one?
The canonical SMILES for 4-(furan-3-yl)chromen-2-one is O=c1cc(-c2ccoc2)c2ccccc2o1.
What is the InChIKey of 4-(furan-3-yl)chromen-2-one?
The InChIKey is DULXYKZZBLIJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O3/c14-13-7-11(9-5-6-15-8-9)10-3-1-2-4-12(10)16-13/h1-8H.
What are the key properties of 4-(furan-3-yl)chromen-2-one?
4-(furan-3-yl)chromen-2-one has a molecular weight of 212.20 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)chromen-2-one is sourced from PubChem (CID 139774091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).