Basic information
- Standard SMILES
CC(=O)Oc1ccc(C(C)C)c(C)c1- InChIKey
DDBMQWAAZQBRJJ-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
Names & identifiers
- Preferred name
- 4-Isopropyl-3-methylphenyl acetate
- IUPAC
- (3-methyl-4-propan-2-ylphenyl) acetate
Names & synonyms
4-isopropyl-3-methylphenyl acetate38770-70-6SCHEMBL3904552DDBMQWAAZQBRJJ-UHFFFAOYSA-N3-methyl-4-isopropyl-phenyl acetateDB-426642
Database identifiers
- PubChem CID
- 23240004
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Related reactions
2 records
Compound notes
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