Basic information
- Standard SMILES
CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CC(=O)O)cc1- InChIKey
LFPCMZMDYBTHHW-UHFFFAOYSA-N- Molecular formula
- C16H22O5
- Average molar mass
- 294.34 g/mol
- Monoisotopic mass
- 294.1467238
Names & identifiers
- Preferred name
- 4-Carboxymethyl-phenoxy-2-methyl-propionic acid tert-butyl ester
- IUPAC
- 2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyphenyl]acetic acid
Names & synonyms
SCHEMBL1549069LFPCMZMDYBTHHW-UHFFFAOYSA-N4-carboxymethyl-phenoxy-2-methyl-propionic acid tert-butyl ester2-(4-(1-tert-butoxy-2-methyl-1-oxopropan-2-yloxy)phenyl)acetic acid2-(4-Carboxymethyl-phenoxy)-2-methyl-propionic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67072057
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
7 records
Compound notes
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