Basic information
- CAS
1261975-58-9- Standard SMILES
COc1ccc(OC)c(-c2ccc(O)c(C#N)c2)c1- InChIKey
HHGAQLYDRIOQBF-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Names & identifiers
- Preferred name
- 4-Hydroxy-2',5'-dimethoxy[1,1'-biphenyl]-3-carbonitrile
- IUPAC
- 5-(2,5-dimethoxyphenyl)-2-hydroxybenzonitrile
Names & synonyms
1261975-58-9MFCD18314405DTXSID30684857AKOS0175578332-Cyano-4-(2,5-dimethoxyphenyl)phenol, 95%5-(2,5-dimethoxyphenyl)-2-hydroxybenzonitrile5-(2,5-dimethoxyphenyl)-2-hydroxy-benzonitrile4-Hydroxy-2',5'-dimethoxy[1,1'-biphenyl]-3-carbonitrile
Database identifiers
- CAS
1261975-58-9- PubChem CID
- 53220080
- DTXSID
DTXSID30684857
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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