5-Methyl-2-(propan-2-yl)phenyl butanoate
Basic information
- CAS
5451-70-7- Standard SMILES
CCCC(=O)Oc1cc(C)ccc1C(C)C- InChIKey
WRIVMPQKUQTSFV-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 5-Methyl-2-(propan-2-yl)phenyl butanoate
- IUPAC
- (5-methyl-2-propan-2-ylphenyl) butanoate
Names & synonyms
5451-70-7(5-methyl-2-propan-2-yl-phenyl) butanoate5-methyl-2-(propan-2-yl)phenyl butanoateNSC21851(5-methyl-2-propan-2-ylphenyl)butanoateSCHEMBL248716DTXSID70281506NSC-21851AKOS017073659
Database identifiers
- CAS
5451-70-7- PubChem CID
- 228740
- DTXSID
DTXSID70281506
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
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Compound notes
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