Basic information
- Standard SMILES
COC(=O)c1ccc(C(C)(C)OC)cc1- InChIKey
PVZBSPRBBLXEEY-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 4-(1-Methoxy-1-methyl-ethyl)-benzoic acid methyl ester
- IUPAC
- methyl 4-(2-methoxypropan-2-yl)benzoate
Names & synonyms
SCHEMBL5177242PVZBSPRBBLXEEY-UHFFFAOYSA-Nmethyl 4-(2-methoxypropan-2-yl)benzoatemethyl 4-(1-methoxy-1-methylethyl)benzoate4-(1-methoxy-1-methyl-ethyl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 18174485
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Related reactions
9 records
Compound notes
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