4-(4-Formyl-3,5-dimethoxyphenoxy)butyric acid

C₁₃H₁₆O₆CAS 197304-21-5268.26 g/mol

Open in Covalent MOL file

Aldehyde Carboxylic acid Ether

Properties

Molecular formula: C₁₃H₁₆O₆
Molar mass: 268.26 g/mol
Exact mass: 268.0947 Da
logP: 1.76Crippen estimate
Polar surface area: 82.1 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 8

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

197304-21-5

SMILES

COC1=CC(=CC(=C1C=O)OC)OCCCC(=O)O

InChIKey

SEJSVFHBVLKHLB-UHFFFAOYSA-N

InChI

InChI=1S/C13H16O6/c1-17-11-6-9(19-5-3-4-13(15)16)7-12(18-2)10(11)8-14/h6-8H,3-5H2,1-2H3,(H,15,16)

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Names and synonyms

1 names

4-(4-Formyl-3,5-dimethoxyphenoxy)butanoic acid

Work with 4-(4-Formyl-3,5-dimethoxyphenoxy)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'-methoxyphenoxy)butyric acid309964-23-676 % similar 4-(4-Hydroxymethyl-3-methoxyphenoxy)-butyric acid136849-75-763 % similar 2,4,6-Trimethoxybenzaldehyde830-79-551 % similar 4-Phenoxybutyric acid6303-58-849 % similar 4-Methoxybenzenebutanoic acid4521-28-247 % similar 3-(2,5-Dimethoxyphenyl)propionic acid10538-49-546 % similar 4-Hydroxy-2,6-dimethoxybenzaldehyde22080-96-245 % similar 2-(2,4-Dimethoxyphenyl)acetic acid6496-89-545 % similar

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

Same formula

1,1′-Dimethyl 2,2′-[(4-methyl-1,2-phenylene)bis(oxy)]bis[acetate]52589-39-6

Elsewhere

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