3-Phenyl-5-(alpha,alpha-dimethylbenzyl)salicylic acid
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Basic information
- CAS
41479-59-8- Standard SMILES
CC(C)(c1ccccc1)c1cc(C(=O)O)c(O)c(-c2ccccc2)c1- InChIKey
YBXZFYBYIPONRP-UHFFFAOYSA-N- Molecular formula
- C22H20O3
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- 3-Phenyl-5-(alpha,alpha-dimethylbenzyl)salicylic acid
- IUPAC
- 2-hydroxy-3-phenyl-5-(2-phenylpropan-2-yl)benzoic acid
- English name
- 5-(α,α-Dimethylbenzyl)-3-phenylsalicylic acid
- Molecular formula
- C22H20O3
- Molecular weight
- 332.39
Names & synonyms
SCHEMBL3131983-phenyl-5-(alpha,alpha-dimethylbenzyl)salicylic acid3-phenyl-5-(alpha,alpha-dimethylbenzyl) salicylic acid5-(α,α-Dimethylbenzyl)-3-phenylsalicylic acid[1,1'-Biphenyl]-3-carboxylic acid, 2-hydroxy-5-(1-methyl-1-phenylethyl)-
Database identifiers
- CAS
41479-59-8- Nikkaji
- J39.713J
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Boiling point
- 505.4 · 505.4±50.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 3.03 · 3.03±0.14(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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