1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester
Basic information
- CAS
71463-82-6- Standard SMILES
CC[C@@H](C)COC(=O)c1ccccc1C(=O)OCc1ccccc1- InChIKey
ZRYUYMRIBIOSBD-OAHLLOKOSA-N- Molecular formula
- C20H22O4
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.15180918
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester
- IUPAC
- 1-O-benzyl 2-O-[(2R)-2-methylbutyl] benzene-1,2-dicarboxylate
Names & synonyms
2-Methylbutyl benzyl phthalate71463-82-61,2-Benzenedicarboxylic acid, 2-methylbutyl phenylmethyl ester1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) esterDTXSID00887898RefChem:411121DTXCID801027180
Database identifiers
- CAS
71463-82-6- PubChem CID
- 3085474
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarboxylic acid, 1-(2-methylbutyl) 2-(phenylmethyl) ester: INACTIVE
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