4-(4-Hydroxymethyl-3-methoxyphenoxy)-butyric acid

C₁₂H₁₆O₅CAS 136849-75-7240.25 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Ether

Properties

Molecular formula: C₁₂H₁₆O₅
Molar mass: 240.25 g/mol
Exact mass: 240.0998 Da
logP: 1.43Crippen estimate
Polar surface area: 76.0 Å²
H-bond donors / acceptors: 2 / 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

136849-75-7

SMILES

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

InChIKey

HXOYWJCDYVODON-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O5/c1-16-11-7-10(5-4-9(11)8-13)17-6-2-3-12(14)15/h4-5,7,13H,2-3,6,8H2,1H3,(H,14,15)

Weigh it out

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Work with 4-(4-Hydroxymethyl-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'-methoxyphenoxy)butyric acid309964-23-666 % similar 4-(4-Formyl-3,5-dimethoxyphenoxy)butyric acid197304-21-563 % similar 2,4-Dimethoxybenzyl alcohol7314-44-556 % similar 2-(2,4-Dimethoxyphenyl)acetic acid6496-89-555 % similar 3-(2,5-Dimethoxyphenyl)propionic acid10538-49-550 % similar 4-Phenoxybutyric acid6303-58-850 % similar 3-(4-Hydroxymethylphenoxy)propionic acid101366-61-448 % similar 4-Methoxybenzenebutanoic acid4521-28-248 % similar

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

Same formula

3-(3,4,5-Trimethoxyphenyl)propionic acid25173-72-2 Ethyl 3,4,5-trimethoxybenzoate6178-44-5 Phenylmethyl β-L-arabinopyranoside7473-38-3

Elsewhere

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