Basic information
- Standard SMILES
CCCOc1ccc2c(c1)C(c1ccc(OC)cc1O)C(CC#N)C2c1ccc2c(c1)OCO2- InChIKey
UXLCXHYDWPGSKA-UHFFFAOYSA-N- Molecular formula
- C28H27NO5
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.18892296
Names & identifiers
- Preferred name
- 2-Cyanomethyl-3-(2-hydroxy-4-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-5-(prop-1-yloxy)indane
- IUPAC
- 2-[1-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4-methoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-2-yl]acetonitrile
Names & synonyms
UXLCXHYDWPGSKA-UHFFFAOYSA-N2-Cyanomethyl-3-(2-hydroxy-4-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-5-(prop-1-yloxy)indane
Database identifiers
- PubChem CID
- 86752129
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 723
Related reactions
3 records
Compound notes
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