Basic information
- CAS
95499-72-2- Standard SMILES
CC(C)Cc1ccc(C(C)(C)C(=O)O)cc1- InChIKey
AZPUUNIFABPZND-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 2-methyl-2-[4-(2-methylpropyl)phenyl]propanoic Acid
- IUPAC
- 2-methyl-2-[4-(2-methylpropyl)phenyl]propanoic acid
- English name
- Benzeneacetic acid, -alpha-,-alpha--dimethyl-4-(2-methylpropyl)- (9CI)
- Molecular formula
- C14H20O2
- Molecular weight
- 220.3074
Names & synonyms
95499-72-22-methyl-2-[4-(2-methylpropyl)phenyl]propanoic AcidBenzeneacetic acid, alpha,alpha-dimethyl-4-(2-methylpropyl)-Benzeneacetic acid, -alpha-,-alpha--dimethyl-4-(2-methylpropyl)- (9CI)2-(4-isobutylphenyl)-2-methylpropanoic acidCHEMBL205387SCHEMBL2139313DTXSID40241859EN300-1997933
Database identifiers
- CAS
95499-72-2- PubChem CID
- 180643
- DTXSID
DTXSID40241859- ChEMBL
CHEMBL205387- Nikkaji
- J1.482.565G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 235
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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