Basic information
- CAS
71548-88-4- Standard SMILES
CCC(C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)O- InChIKey
PBRVZNUUAUSXBJ-UHFFFAOYSA-N- Molecular formula
- C18H19ClO3
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.1022722
Overview
RN given refers to (+-)-isomer
Names & identifiers
- Preferred name
- Beclobrinic acid
- IUPAC
- 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid
- English name
- beclobrinic acid
- Molecular formula
- C18H19ClO3
- Molecular weight
- 318.79
Names & synonyms
Beclobrinic acid71548-88-4beclobric acidRefChem:1168632-(4 ((4-chlorophenyl)methyl)phenoxy)-2-methyl butanoic acid2-(4-(4-chlorobenzyl)phenoxy)-2-methylbutanoic acid2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid2-{4-[(4-CHLOROPHENYL)METHYL]PHENOXY}-2-METHYLBUTANOIC ACIDSgd 6-75BRN 2995605(+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylbutyric acidButanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, (+-)-
Show more names
Butanoic acid, 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-
SCHEMBL11073216DTXSID10992068BUTYRIC ACID, 2-(4-(4-CHLOROBENZYL)PHENOXY)-2-METHYL-, (+-)-DA-033402-(4-(4-chlorobenzyl)phenoxy)-2-methylbutanoicacid
Database identifiers
- CAS
71548-88-4- PubChem CID
- 51341
- DTXSID
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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