(2S,4R)-4-(3-hydroxyphenyl)-4-methoxy-2-methyltetrahydropyran
Basic information
- Standard SMILES
CO[C@]1(c2cccc(O)c2)CCO[C@@H](C)C1- InChIKey
JKUSAHJZHURLJR-GXFFZTMASA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- (2S,4R)-4-(3-hydroxyphenyl)-4-methoxy-2-methyltetrahydropyran
- IUPAC
- 3-[(2S,4R)-4-methoxy-2-methyloxan-4-yl]phenol
Names & synonyms
SCHEMBL9209049JKUSAHJZHURLJR-GXFFZTMASA-N(2S,4R)-4-(3-hydroxyphenyl)-4-methoxy-2-methyltetrahydropyran
Database identifiers
- PubChem CID
- 22845133
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Related reactions
3 records
Compound notes
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