3-Methoxy-2-[1-(naphthalen-1-yl)ethyl]benzoic acid
Basic information
- CAS
62064-48-6- Standard SMILES
COc1cccc(C(=O)O)c1C(C)c1cccc2ccccc12- InChIKey
DLDHCPKJOIXMFK-UHFFFAOYSA-N- Molecular formula
- C20H18O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.12559443
Names & identifiers
- Preferred name
- 3-Methoxy-2-[1-(naphthalen-1-yl)ethyl]benzoic acid
- IUPAC
- 3-methoxy-2-(1-naphthalen-1-ylethyl)benzoic acid
Names & synonyms
62064-48-63-Methoxy-2-[1-(naphthalen-1-yl)ethyl]benzoic acid3-Methoxy-2-(1-(naphthalen-1-yl)ethyl)benzoic acidDTXSID80490223
Database identifiers
- CAS
62064-48-6- PubChem CID
- 12329366
- DTXSID
DTXSID80490223
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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