8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one

C13H12O4 — CID 25250096

IUPAC8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one
SMILESO=C1OC(C2CC2)c2cc3c(cc21)OCCO3
InChIInChI=1S/C13H12O4/c14-13-9-6-11-10(15-3-4-16-11)5-8(9)12(17-13)7-1-2-7/h5-7,12H,1-4H2
InChIKeyOJSBNDOPSHXWQM-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.08
Rot. Bonds1

About 8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one

8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one (PubChem CID 25250096) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is 8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one.

Molecular Properties

Compound Name8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one
PubChem CID25250096
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one
SMILESO=C1OC(C2CC2)c2cc3c(cc21)OCCO3
InChIInChI=1S/C13H12O4/c14-13-9-6-11-10(15-3-4-16-11)5-8(9)12(17-13)7-1-2-7/h5-7,12H,1-4H2
InChIKeyOJSBNDOPSHXWQM-UHFFFAOYSA-N
XLogP2.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one?
The IUPAC name of 8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one (CID 25250096) is 8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one.
What is the SMILES notation for 8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one?
The canonical SMILES for 8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one is O=C1OC(C2CC2)c2cc3c(cc21)OCCO3.
What is the InChIKey of 8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one?
The InChIKey is OJSBNDOPSHXWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c14-13-9-6-11-10(15-3-4-16-11)5-8(9)12(17-13)7-1-2-7/h5-7,12H,1-4H2.
What are the key properties of 8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one?
8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one has a molecular weight of 232.23 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-3,8-dihydro-2H-furo[3,4-g][1,4]benzodioxin-6-one is sourced from PubChem (CID 25250096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).