Basic information
- CAS
856017-29-3- Standard SMILES
COc1ccc(C(C)(C)c2ccccc2)cc1C=O- InChIKey
FTEOMHOUIIQYTL-UHFFFAOYSA-N- Molecular formula
- C17H18O2
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.13067981
Names & identifiers
- Preferred name
- Benzaldehyde, 2-methoxy-5-(1-methyl-1-phenylethyl)-
- IUPAC
- 2-methoxy-5-(2-phenylpropan-2-yl)benzaldehyde
Names & synonyms
856017-29-3Benzaldehyde, 2-methoxy-5-(1-methyl-1-phenylethyl)-2-methoxy-5-(2-phenylpropan-2-yl)benzaldehydeDTXSID20469615
Database identifiers
- CAS
856017-29-3- PubChem CID
- 11622982
- DTXSID
DTXSID20469615- Nikkaji
- J2.321.131I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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