Basic information
- CAS
61024-28-0- Standard SMILES
Cc1cc(C(=O)c2ccc(Cl)cc2)cc(C)c1OC(C)(C)C(=O)O- InChIKey
YLHFZWBAXVLXKB-UHFFFAOYSA-N- Molecular formula
- C19H19ClO4
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.0971868
Names & identifiers
- Preferred name
- Propanoic acid, 2-(4-(4-chlorobenzoyl)-2,6-dimethylphenoxy)-2-methyl-
- IUPAC
- 2-[4-(4-chlorobenzoyl)-2,6-dimethylphenoxy]-2-methylpropanoic acid
Names & synonyms
BRN 2009783Propanoic acid, 2-(4-(4-chlorobenzoyl)-2,6-dimethylphenoxy)-2-methyl-61024-28-0DTXSID502099002-(4-(4-Chlorobenzoyl)-2,6-dimethylphenoxy)-2-methylpropanoic acid2-[4-(4-chlorobenzoyl)-2,6-dimethylphenoxy]-2-methylpropanoic acidRefChem:374685DTXCID60132391
Database identifiers
- CAS
61024-28-0- PubChem CID
- 3045693
- DTXSID
DTXSID50209900- Nikkaji
- J69.141K
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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