Basic information
- Standard SMILES
COc1ccc(COC/C=C/CO)cc1- InChIKey
LPNVRINTDMVADF-NSCUHMNNSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
Names & identifiers
- Preferred name
- trans 4-(4-Methoxy-benzyloxy)-but-2-en-1-ol
- IUPAC
- (E)-4-[(4-methoxyphenyl)methoxy]but-2-en-1-ol
Names & synonyms
SCHEMBL1030380trans 4-(4-methoxy-benzyloxy)-but-2-en-1-ol(2E)-4-[(4-Methoxybenzyl)oxy]-2-buten-1-ol #
Database identifiers
- PubChem CID
- 5371004
- Nikkaji
- J1.936.053I、J2.249.164D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Related reactions
1 records
Compound notes
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