Basic information
- Standard SMILES
COC(=O)C1CN(Cc2ccc3cc(O)ccc3c2)C1- InChIKey
XHBSXVRIXVYAHD-UHFFFAOYSA-N- Molecular formula
- C16H17NO3
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.1208434
Names & identifiers
- Preferred name
- Methyl 1-((6-hydroxynaphthalen-2-yl)methyl)azetidine-3-carboxylate
- IUPAC
- methyl 1-[(6-hydroxynaphthalen-2-yl)methyl]azetidine-3-carboxylate
Names & synonyms
methyl 1-((6-hydroxynaphthalen-2-yl)methyl)azetidine-3-carboxylate1266117-57-0SCHEMBL1159930XHBSXVRIXVYAHD-UHFFFAOYSA-NDB-297753
Database identifiers
- PubChem CID
- 66925934
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
6 records
Compound notes
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