Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, propyl ester, (+-)-
Basic information
- CAS
71548-92-0- Standard SMILES
CCCOC(=O)C(C)(CC)Oc1ccc(Cc2ccc(Cl)cc2)cc1- InChIKey
UDFXHGHZSZRKLJ-UHFFFAOYSA-N- Molecular formula
- C21H25ClO3
- Average molar mass
- 360.9 g/mol
- Monoisotopic mass
- 360.1492223
Names & identifiers
- Preferred name
- Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, propyl ester, (+-)-
- IUPAC
- propyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate
Names & synonyms
Sgd 90-75BRN 300539271548-92-0(+-)-Propyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylbutyrate(+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylbutyric acid propyl esterBUTYRIC ACID, 2-(4-(4-CHLOROBENZYL)PHENOXY)-2-METHYL-, PROPYL ESTER, (+-)-RefChem:331251SCHEMBL11071767DTXSID40992071PROPYL 2-{4-[(4-CHLOROPHENYL)METHYL]PHENOXY}-2-METHYLBUTANOATE
Database identifiers
- CAS
71548-92-0- PubChem CID
- 51345
- DTXSID
DTXSID40992071- Nikkaji
- J65.871E
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 398
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Compound notes
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