Basic information
- Standard SMILES
CCCOc1ccc2c(c1)C(c1ccc(OC)cc1OCOC)C(CO)C2c1ccc2c(c1)OCO2- InChIKey
RCFLDLVPRKYFPH-UHFFFAOYSA-N- Molecular formula
- C29H32O7
- Average molar mass
- 492.6 g/mol
Names & identifiers
- Preferred name
- (1RS,2RS,3RS)-2-Hydroxymethyl-3-(4-methoxy-2-methoxymethoxyphenyl)-1-(3,4-methylenedioxyphenyl)-5-(prop-1-yloxy)indane
- IUPAC
- [1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-2-(methoxymethoxy)phenyl]-5-propoxy-2,3-dihydro-1H-inden-2-yl]methanol
Names & synonyms
SCHEMBL7947117RCFLDLVPRKYFPH-UHFFFAOYSA-N(1RS,2RS,3RS)-2-Hydroxymethyl-3-(4-methoxy-2-methoxymethoxyphenyl)-1-(3,4-methylenedioxyphenyl)-5-(prop-1-yloxy)indane
Database identifiers
- PubChem CID
- 21714799
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 676
Related reactions
3 records
Compound notes
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