3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic Acid
Basic information
- CAS
744243-58-1- Standard SMILES
COc1cc(C=CC(=O)O)ccc1OCC(C)C- InChIKey
MZXJPLQWXLYEGR-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Names & identifiers
- Preferred name
- 3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic Acid
- IUPAC
- 3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid
- English name
- (2E)-3-(4-Isobutoxy-3-methoxyphenyl)acrylic acid
- Molecular formula
- C14H18O4
- Molecular weight
- 250.29
Names & synonyms
3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic AcidCID 34879283-(4-isobutoxy-3-methoxyphenyl)acrylic acid744243-58-1DTXSID3011992513-[3-Methoxy-4-(2-methylpropoxy)phenyl]-2-propenoic acid(2E)-3-(4-Isobutoxy-3-methoxyphenyl)acrylic acid2-Propenoic acid, 3-[3-methoxy-4-(2-methylpropoxy)phenyl]-
Database identifiers
- CAS
744243-58-1- PubChem CID
- 3487928
- DTXSID
DTXSID301199251
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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