4-Isopropylphenoxyacetic acid

C11H14O3CAS 1643-16-9194.23 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
logP
2.27Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
1643-16-9
SMILES
CC(C)C1=CC=C(C=C1)OCC(=O)O
InChIKey
FPVCSFOUVDLTDG-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-8(2)9-3-5-10(6-4-9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)

Weigh it out

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

Work with 4-Isopropylphenoxyacetic 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

2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-670 % similar 4-Methoxyphenoxyacetic acid1877-75-463 % similar 4-(1-Methylethyl)benzeneacetic acid4476-28-263 % similar (4-Methylphenoxy)acetic acid940-64-763 % similar (4-Hydroxyphenoxy)acetic acid1878-84-860 % similar Phenoxyacetic acid122-59-859 % similar 4-Chlorophenoxyacetic acid122-88-358 % similar 2-(4-Bromophenoxy)acetic acid1878-91-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Zingerone122-48-5 Ethyl 4-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Methyl 3-(4-methoxyphenyl)propanoate15823-04-8 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 Ethyl 3-phenoxypropionate22409-91-2

Elsewhere

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