Basic information
- Standard SMILES
Cc1ccc(C(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)cc1Cc1ccc(OCc2ccccc2)cc1- InChIKey
IGRPAUFWDSZGEK-UNFRKHOWSA-N- Molecular formula
- C29H30O6
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.20423867
Names & identifiers
- Preferred name
- (3-(4-(benzyloxy)benzyl)-4-methylphenyl)((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanone
- IUPAC
- [(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[4-methyl-3-[(4-phenylmethoxyphenyl)methyl]phenyl]methanone
Names & synonyms
SCHEMBL15742423IGRPAUFWDSZGEK-UNFRKHOWSA-N(3-(4-(benzyloxy)benzyl)-4-methylphenyl)((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanone
Database identifiers
- PubChem CID
- 90177932
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 710
Related reactions
1 records
Compound notes
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