5-Propenyl-benzo-1,3-dioxole

HCID 8439CAS 120-58-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CC=Cc1ccc2c(c1)OCO2
InChIKey
VHVOLFRBFDOUSH-UHFFFAOYSA-N
Molecular formula
C10H10O2
Average molar mass
162.18 g/mol
Monoisotopic mass
162.06807956

Overview

isosafrole has been reported in Micromeria juliana, Murraya paniculata, and Asarum sieboldii with data available.

Names & identifiers

Preferred name
5-Propenyl-benzo-1,3-dioxole
IUPAC
5-prop-1-enyl-1,3-benzodioxole

Names & synonyms

5-propenyl-benzo-1,3-dioxoleRefChem:1073238Spectrum_001287SpecPlus_000306Spectrum2_000672Spectrum3_001027Spectrum4_001158ChemDiv2_001446NCIOpen2_001345KBioGR_001735KBioSS_001767DivK1c_006402
Show more names
SCHEMBL345862SPBio_000763SCHEMBL2087784CHEMBL3184536SCHEMBL29365996KBio1_001346KBio2_001767KBio2_004335

Database identifiers

CAS
120-58-1
PubChem CID
8439
DTXSID
DTXSID2020767
ChEMBL
CHEMBL3184536

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
SpringerMaterials PropertiesBoiling point

Related reactions

4 records
New reaction record

Linked notes

Loading…