Basic information
- CAS
71712-28-2- Standard SMILES
C=CCc1cc2c(cc1Cc1ccc(OC)cc1)OCO2- InChIKey
FIOPFIIRLKLUCG-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.12559443
Names & identifiers
- Preferred name
- 5-[(4-Methoxyphenyl)methyl]-6-prop-2-enyl-1,3-benzodioxole
- IUPAC
- 5-[(4-methoxyphenyl)methyl]-6-prop-2-enyl-1,3-benzodioxole
Names & synonyms
71712-28-25-[(4-methoxyphenyl)methyl]-6-prop-2-enyl-1,3-benzodioxoleNSC321586SCHEMBL11083184DTXSID50317892NSC-321586DS-0056365-[(4-Methoxyphenyl)methyl]-6-prop-2-enyl-benzo[1,3]dioxole5-[(4-Methoxyphenyl)methyl]-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole
Database identifiers
- CAS
71712-28-2- PubChem CID
- 331202
- DTXSID
DTXSID50317892
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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