Basic information
- CAS
71548-91-9- Standard SMILES
CCC(C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OC- InChIKey
PVKLQBZRXYIJTR-UHFFFAOYSA-N- Molecular formula
- C19H21ClO3
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.1179222
Names & identifiers
- Preferred name
- Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)-
- IUPAC
- methyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate
Names & synonyms
Sgd 91-75BRN 299500871548-91-9(+-)-Methyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylbutyrate(+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylbutyric acid methyl esterBUTYRIC ACID, 2-(4-(4-CHLOROBENZYL)PHENOXY)-2-METHYL-, METHYL ESTER, (+-)-RefChem:331250Methyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylbutanoate77985-11-6SCHEMBL11072228DTXSID80992070PVKLQBZRXYIJTR-UHFFFAOYSA-N
Show more names
METHYL 2-{4-[(4-CHLOROPHENYL)METHYL]PHENOXY}-2-METHYLBUTANOATEMethyl2-(4-(4-chlorobenzyl)phenoxy)-2-methylbutanoateMethyl 2-[4-(4-chlorobenzyl)phenoxy]-2-methylbutanoate #2-Methylbutanoic acid, 2-(4-chlorobenzylphenoxy)-, methyl ester
Database identifiers
- CAS
71548-91-9- PubChem CID
- 51344
- DTXSID
DTXSID80992070- Nikkaji
- J65.870G
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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