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

C12H16O5CAS 136849-75-7240.25 g/mol

Open in Covalent MOL file
OOOOHOH
AlcoholCarboxylic acidEther

Properties

Molecular formula
C12H16O5
Molar mass
240.25 g/mol
Exact mass
240.0998 Da
logP
1.43Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Type any one amount. The others follow from the molar mass.

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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