2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester
Basic information
- CAS
36050-31-4- Standard SMILES
Cc1cc(Cl)c(C(C)C)cc1OC(=O)c1cccs1- InChIKey
VRJMYKPCACBQKG-UHFFFAOYSA-N- Molecular formula
- C15H15ClO2S
- Average molar mass
- 294.8 g/mol
- Monoisotopic mass
- 294.0481286
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester
- IUPAC
- (4-chloro-2-methyl-5-propan-2-ylphenyl) thiophene-2-carboxylate
Names & synonyms
alpha-Thenoate chlorocarvacrol [French]alpha-Thenoate chlorocarvacrol36050-31-42-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester4-Chloro-2-methyl-5-(1-methylethyl)phenyl 2-thiophenecarboxylateDTXSID30189615RefChem:267359DTXCID901121064-chloro-2-methyl-5-(propan-2-yl)phenyl thiophene-2-carboxylate
Database identifiers
- CAS
36050-31-4- PubChem CID
- 215660
- DTXSID
DTXSID30189615
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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