Basic information
- CAS
86990-89-8- Standard SMILES
C[C@@H](CO)[C@H](O)COCc1ccccc1- InChIKey
KLPFRPGTGPZUHS-CMPLNLGQSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- Ctk3C6017
- IUPAC
- (2S,3S)-2-methyl-4-phenylmethoxybutane-1,3-diol
Names & synonyms
CTK3C6017DTXSID5047172686990-89-8RefChem:334774DTXCID60422542(2S,3S)-4-(BENZYLOXY)-2-METHYLBUTANE-1,3-DIOL
Database identifiers
- CAS
86990-89-8- PubChem CID
- 11745895
- DTXSID
DTXSID50471726- Nikkaji
- J1.628.879I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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