2-Isopropyl-phenyl acetate
Basic information
- CAS
1608-68-0- Standard SMILES
CC(=O)Oc1ccccc1C(C)C- InChIKey
ILKITZBHQBDKCB-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 2-Isopropyl-phenyl acetate
- IUPAC
- (2-propan-2-ylphenyl) acetate
- English name
- Acetic acid o-isopropylphenyl ester
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
2-isopropyl-phenyl acetate1608-68-0DTXSID50323599RefChem:262354DTXCID70274716Acetic acid o-isopropylphenyl ester(2-propan-2-ylphenyl) acetate2-(propan-2-yl)phenyl acetate2-Isopropylphenyl acetate #SCHEMBL720572NSC404392NSC-404392
Show more names
Phenol, 2-(1-methylethyl)-, 1-acetate
Phenol, 2-(1-methylethyl)-, acetate
Database identifiers
- CAS
1608-68-0- PubChem CID
- 346233
- DTXSID
DTXSID50323599- Nikkaji
- J309.006J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Experimental & physicochemical properties
LogP2.78
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Related reactions
4 records
Compound notes
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