Basic information
- CAS
168106-30-7- Standard SMILES
Cc1cc(CC(=O)O)cc(C)c1OCc1ccccc1- InChIKey
SBGWESICIRBADJ-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- Benzeneacetic acid, 3,5-dimethyl-4-(phenylmethoxy)-
- IUPAC
- 2-(3,5-dimethyl-4-phenylmethoxyphenyl)acetic acid
Names & synonyms
168106-30-7Benzeneacetic acid, 3,5-dimethyl-4-(phenylmethoxy)-SCHEMBL6081447DTXSID50397851[4-(benzyloxy)-3,5-dimethylphenyl]acetic acid
Database identifiers
- CAS
168106-30-7- PubChem CID
- 3901136
- DTXSID
DTXSID50397851- Nikkaji
- J2.090.615D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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