Basic information
- CAS
61542-99-2- Standard SMILES
COc1c(C(=O)CCc2ccccc2)ccc(O)c1C- InChIKey
NDCYWYVDFODIGB-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- 1-(4-Hydroxy-2-methoxy-3-methylphenyl)-3-phenylpropan-1-one
- IUPAC
- 1-(4-hydroxy-2-methoxy-3-methylphenyl)-3-phenylpropan-1-one
Names & synonyms
61542-99-21-(4-Hydroxy-2-methoxy-3-methylphenyl)-3-phenylpropan-1-oneDTXSID60816462
Database identifiers
- CAS
61542-99-2- PubChem CID
- 71394792
- DTXSID
DTXSID60816462
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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