Basic information
- Standard SMILES
COc1ccc(-c2ccc(NC(=O)C#Cc3ccc(CO)cc3)cc2)cc1- InChIKey
WNEQJLGBYBFCPJ-UHFFFAOYSA-N- Molecular formula
- C23H19NO3
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-Hydroxymethylphenyl)propynoic acid-(4'-methoxybiphenyl-4-yl)amide
- IUPAC
- 3-[4-(hydroxymethyl)phenyl]-N-[4-(4-methoxyphenyl)phenyl]prop-2-ynamide
Names & synonyms
SCHEMBL3857350WNEQJLGBYBFCPJ-UHFFFAOYSA-N3-(4-hydroxymethylphenyl)propynoic acid-(4'-methoxybiphenyl-4-yl)amide
Database identifiers
- PubChem CID
- 68816004
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 524
Related reactions
1 records
Compound notes
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