4-(4'-Formyl-3'-methoxyphenoxy)butyric acid

C₁₂H₁₄O₅CAS 309964-23-6238.24 g/mol

Open in Covalent MOL file

Aldehyde Carboxylic acid Ether

Properties

Molecular formula: C₁₂H₁₄O₅
Molar mass: 238.24 g/mol
Exact mass: 238.0841 Da
logP: 1.75Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

309964-23-6

SMILES

COC1=C(C=CC(=C1)OCCCC(=O)O)C=O

InChIKey

RHQAFYIBBWZTOI-UHFFFAOYSA-N

InChI

InChI=1S/C12H14O5/c1-16-11-7-10(5-4-9(11)8-13)17-6-2-3-12(14)15/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)

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Names and synonyms

1 names

4-(4-Formyl-3-methoxyphenoxy)butanoic acid

Work with 4-(4'-Formyl-3'-methoxyphenoxy)butyric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(4-Formyl-3,5-dimethoxyphenoxy)butyric acid197304-21-576 % similar 4-(4-Hydroxymethyl-3-methoxyphenoxy)-butyric acid136849-75-766 % similar 2,4-Dimethoxybenzaldehyde613-45-655 % similar 4-Benzyloxy-2-methoxybenzaldehyde58026-14-553 % similar 4-Phenoxybutyric acid6303-58-849 % similar 4-Methoxybenzenebutanoic acid4521-28-247 % similar 3-(2,5-Dimethoxyphenyl)propionic acid10538-49-546 % similar 4-Hydroxy-2-methoxybenzaldehyde18278-34-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4,5-Trimethoxycinnamic acid20329-98-0 3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid24160-53-0 3-(2,3,4-Trimethoxyphenyl)-2-propenoic acid33130-03-9 3,4,5-Trimethoxycinnamic acid90-50-6

Elsewhere

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