3-Ethoxy-2-(phenylmethoxy)benzoic acid
Basic information
- CAS
861409-90-7- Standard SMILES
CCOc1cccc(C(=O)O)c1OCc1ccccc1- InChIKey
ZOHXDSXKFKZPAS-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Names & identifiers
- Preferred name
- 3-Ethoxy-2-(phenylmethoxy)benzoic acid
- IUPAC
- 3-ethoxy-2-phenylmethoxybenzoic acid
Names & synonyms
3-Ethoxy-2-(phenylmethoxy)benzoic acid861409-90-7DTXSID9012848262-(benzyloxy)-3-ethoxybenzoic acidAKOS000291558Benzoic acid, 3-ethoxy-2-(phenylmethoxy)-
Database identifiers
- CAS
861409-90-7- PubChem CID
- 961602
- DTXSID
DTXSID901284826
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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