Basic information
- Standard SMILES
COc1ccc([C@@H]2OCC(C)(C)[C@H](CO)O2)cc1- InChIKey
IBVHZPBZCMCSEG-QWHCGFSZSA-N- Molecular formula
- C14H20O4
- Average molar mass
- 252.31 g/mol
Names & identifiers
- Preferred name
- [(2R,4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]methanol
- IUPAC
- [(2R,4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]methanol
Names & synonyms
SCHEMBL638757IBVHZPBZCMCSEG-QWHCGFSZSA-N[(2R,4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]methanol
Database identifiers
- PubChem CID
- 15858737
- Nikkaji
- J1.207.719J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Related reactions
2 records
Compound notes
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