4-Allyl-2-methoxyphenyl isobutyrate
Basic information
- CAS
84604-53-5- Standard SMILES
C=CCc1ccc(OC(=O)C(C)C)c(OC)c1- InChIKey
HWQRDSDZKQARQB-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.12559443
Names & identifiers
- Preferred name
- 4-Allyl-2-methoxyphenyl isobutyrate
- IUPAC
- (2-methoxy-4-prop-2-enylphenyl) 2-methylpropanoate
- English name
- 4-allyl-2-methoxyphenyl isobutyrate
- Molecular formula
- C14H18O3
- Molecular weight
- 234.29092
Names & synonyms
4-Allyl-2-methoxyphenyl isobutyrate84604-53-5eugenyl isobutyrateEINECS 283-334-1eugenol isobutyrateCM6ZE5VQ4BSCHEMBL19900387DTXSID70233585HWQRDSDZKQARQB-UHFFFAOYSA-N2-METHOXY-4-(PROP-2-EN-1-YL)PHENYL 2-METHYLPROPANOATENS00038570Q65225845
Show more names
2-Methylpropanoic acid 2-methoxy-4-(2-propenyl)phenyl esterPropanoic acid,2-methyl-, 2-methoxy-4-(2-propen-1-yl)phenyl ester
2-Methoxy-4-(2-propen-1-yl)phenyl 2-methylpropanoatePropanoic acid, 2-methyl-, 2-methoxy-4-(2-propen-1-yl)phenyl ester
Database identifiers
- CAS
84604-53-5- PubChem CID
- 3019983
- DTXSID
DTXSID70233585- UNII
- CM6ZE5VQ4B
- EC Number
- 283-334-1
- Nikkaji
- J333.503H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- LogP
- 3.276 · 3.276 (est)
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Compound notes
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