5,6-dihydro-1,3-benzodioxole

C7H8O2 — CID 22568775

IUPAC5,6-dihydro-1,3-benzodioxole
SMILESC1=C2OCOC2=CCC1
InChIInChI=1S/C7H8O2/c1-2-4-7-6(3-1)8-5-9-7/h3-4H,1-2,5H2
InChIKeyIHASFXKUPYNFSL-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.55
Rot. Bonds

About 5,6-dihydro-1,3-benzodioxole

5,6-dihydro-1,3-benzodioxole (PubChem CID 22568775) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 5,6-dihydro-1,3-benzodioxole.

Molecular Properties

Compound Name5,6-dihydro-1,3-benzodioxole
PubChem CID22568775
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name5,6-dihydro-1,3-benzodioxole
SMILESC1=C2OCOC2=CCC1
InChIInChI=1S/C7H8O2/c1-2-4-7-6(3-1)8-5-9-7/h3-4H,1-2,5H2
InChIKeyIHASFXKUPYNFSL-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-dihydro-1,3-benzodioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1,3-benzodioxole?
The IUPAC name of 5,6-dihydro-1,3-benzodioxole (CID 22568775) is 5,6-dihydro-1,3-benzodioxole.
What is the SMILES notation for 5,6-dihydro-1,3-benzodioxole?
The canonical SMILES for 5,6-dihydro-1,3-benzodioxole is C1=C2OCOC2=CCC1.
What is the InChIKey of 5,6-dihydro-1,3-benzodioxole?
The InChIKey is IHASFXKUPYNFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-2-4-7-6(3-1)8-5-9-7/h3-4H,1-2,5H2.
What are the key properties of 5,6-dihydro-1,3-benzodioxole?
5,6-dihydro-1,3-benzodioxole has a molecular weight of 124.14 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1,3-benzodioxole is sourced from PubChem (CID 22568775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).