Basic information
- CAS
50596-37-7- Standard SMILES
COC(=O)c1ccc(OCc2ccccn2)cc1- InChIKey
XFURDHATDHRUMP-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- Methyl 4-(pyridin-2-ylmethoxy)benzoate
- IUPAC
- methyl 4-(pyridin-2-ylmethoxy)benzoate
Names & synonyms
50596-37-7Methyl 4-(pyridin-2-ylmethoxy)benzoatemethyl 4-pyridinylmethoxybenzoateSCHEMBL1732629SCHEMBL30320388XFURDHATDHRUMP-UHFFFAOYSA-NDTXSID401222150AKOS008967030Methyl 4-[(pyridin-2-yl)methoxy]benzoateDB-431212SR-010000488984-(Pyridin-2-ylmethoxy)-benzoic Acid Methyl Ester
Show more names
SR-01000048898-1Benzoic acid, 4-(2-pyridinylmethoxy)-, methyl esterZ56957536
Database identifiers
- CAS
50596-37-7- PubChem CID
- 2416604
- DTXSID
DTXSID401222150
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Related reactions
16 records
Compound notes
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