Basic information
- CAS
34643-09-9- Standard SMILES
CCc1ccc(Oc2ccc(C)cc2CC(=O)O)c(Cl)c1- InChIKey
DTOBTMTUCDAZIZ-UHFFFAOYSA-N- Molecular formula
- C17H17ClO3
- Average molar mass
- 304.8 g/mol
- Monoisotopic mass
- 304.0866221
Names & identifiers
- Preferred name
- Benzeneacetic acid, 2-(2-chloro-4-ethylphenoxy)-5-methyl-
- IUPAC
- 2-[2-(2-chloro-4-ethylphenoxy)-5-methylphenyl]acetic acid
- English name
- 2-(2-Chloro-4-ethylphenoxy)-5-methylbenzeneacetic acid
- Molecular weight
- 0
Names & synonyms
34643-09-9BRN 2754488Acetic acid, (2-(2-chloro-4-ethylphenoxy)-5-methylphenyl)-2-(2-Chloro-4-ethylphenoxy)-5-methyl-benzeneacetic acidBenzeneacetic acid, 2-(2-chloro-4-ethylphenoxy)-5-methyl-RefChem:324114[2-(2-chloro-4-ethylphenoxy)-5-methylphenyl]acetic acidCHEMBL27417DTXSID409561382-(2-Chloro-4-ethylphenoxy)-5-methylbenzeneacetic acid
Database identifiers
- CAS
34643-09-9- PubChem CID
- 214947
- DTXSID
DTXSID40956138- ChEMBL
CHEMBL27417- Nikkaji
- J73.245A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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