Basic information
- CAS
16881-60-0- Standard SMILES
CC(C)c1cc(C(=O)Oc2ccccc2)c(O)c(C(C)C)c1- InChIKey
YYEAGXUACASJES-UHFFFAOYSA-N- Molecular formula
- C19H22O3
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.15689456
Names & identifiers
- Preferred name
- Phenyl 3,5-diisopropylsalicylate
- IUPAC
- phenyl 2-hydroxy-3,5-di(propan-2-yl)benzoate
- English name
- phenyl 3,5-diisopropylsalicylate
- Molecular formula
- C19H22O3
- Molecular weight
- 298.38
Names & synonyms
Phenyl 3,5-diisopropylsalicylate16881-60-0phenyl 2-hydroxy-3,5-di(propan-2-yl)benzoateEINECS 240-913-3U57DD99W6GSCHEMBL28925085DTXSID60168610YYEAGXUACASJES-UHFFFAOYSA-NNS00025541Salicylic acid, 3,5-diisopropyl-, phenyl esterPhenyl 2-hydroxy-3,5-bis(1-methylethyl)benzoateBenzoic acid, 2-hydroxy-3,5-bis(1-methylethyl)-, phenyl ester
Show more names
3,5-Diisopropylsalicylic acid phenyl ester2-Hydroxy-3,5-bis(1-methylethyl)benzoic acid phenyl ester
Database identifiers
- CAS
16881-60-0- PubChem CID
- 85622
- DTXSID
DTXSID60168610- UNII
- U57DD99W6G
- EC Number
- 240-913-3
- Nikkaji
- J236.886B
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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