Basic information
- Standard SMILES
O=CC(=O)c1ccc(OCc2ccccc2)c(CO)c1- InChIKey
ULEQSUUFAXJZDW-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920893
Names & identifiers
- Preferred name
- 4-Benzyloxy-3-hydroxymethylphenylglyoxal
- IUPAC
- 2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]-2-oxoacetaldehyde
Names & synonyms
4-Benzyloxy-3-hydroxymethylphenylglyoxalSCHEMBL2532316ULEQSUUFAXJZDW-UHFFFAOYSA-NDTXSID9011838624-benzyloxy-3-hydroxymethylphenyl glyoxal74733-72-5[4-(benzyloxy)-3-(hydroxymethyl)phenyl](oxo)acetaldehyde3-(Hydroxymethyl)-I+/--oxo-4-(phenylmethoxy)benzeneacetaldehyde
Database identifiers
- CAS
74733-72-5- PubChem CID
- 20134166
- DTXSID
DTXSID901183862
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
6 records
Linked notes
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