Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester
Basic information
- CAS
71548-25-9- Standard SMILES
CCOC(=O)COc1ccc(Cc2ccc(Cl)cc2)cc1C- InChIKey
FKVBTBWXORSLPQ-UHFFFAOYSA-N- Molecular formula
- C18H19ClO3
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.1022722
Names & identifiers
- Preferred name
- Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester
- IUPAC
- ethyl 2-[4-[(4-chlorophenyl)methyl]-2-methylphenoxy]acetate
Names & synonyms
BRN 2999831Sgd 331-7571548-25-9ACETIC ACID, 2-(4-(4-CHLOROBENZYL)-2-METHYLPHENOXY)-, ETHYL ESTEREthyl 2-(4-(4-chlorobenzyl)-2-methylphenoxy)acetate2-(4-(4-Chlorobenzyl)-2-methylphenoxy)acetic acid ethyl esterDTXSID10221784Acetic acid, (4-((4-chlorophenyl)methyl)-2-methylphenoxy)-, ethyl esterRefChem:316457DTXCID40144275Ethyl {4-[(4-chlorophenyl)methyl]-2-methylphenoxy}acetate
Database identifiers
- CAS
71548-25-9- PubChem CID
- 51337
- DTXSID
DTXSID10221784- Nikkaji
- J85.209K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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