Basic information
- CAS
69831-69-2- Standard SMILES
C=CC[C@@H](CO)OCc1ccccc1- InChIKey
MHLZESFZNFXJOF-LBPRGKRZSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 4-Penten-1-ol, 2-(phenylmethoxy)-, (S)-
- IUPAC
- (2S)-2-phenylmethoxypent-4-en-1-ol
Names & synonyms
4-Penten-1-ol, 2-(phenylmethoxy)-, (S)-(2S)-2-(BENZYLOXY)PENT-4-EN-1-OL69831-69-2DTXSID80469474
Database identifiers
- CAS
69831-69-2- PubChem CID
- 11615325
- DTXSID
DTXSID80469474- Nikkaji
- J2.223.698I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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