Basic information
- CAS
71712-26-0- Standard SMILES
COc1cc2c(cc1C(C)(C)c1ccccc1)OCO2- InChIKey
WTDMMCYOFGIVJK-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559444
Names & identifiers
- Preferred name
- 5-Methoxy-6-(2-phenylpropan-2-yl)-1,3-benzodioxole
- IUPAC
- 5-methoxy-6-(2-phenylpropan-2-yl)-1,3-benzodioxole
Names & synonyms
71712-26-05-methoxy-6-(2-phenylpropan-2-yl)-1,3-benzodioxoleNSC350098CHEMBL45670SCHEMBL11092097DTXSID50319755WTDMMCYOFGIVJK-UHFFFAOYSA-NNSC-3500985-Methoxy-6-(2-phenylpropan-2-yl)-2H-1,3-benzodioxole(alpha,alpha-Dimethylbenzyl)-3,4-methylenedioxy-6-methoxybenzene
Database identifiers
- CAS
71712-26-0- PubChem CID
- 336334
- DTXSID
DTXSID50319755- ChEMBL
CHEMBL45670
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
3 records
Compound notes
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