4-Methoxybenzenebutanoic acid

C₁₁H₁₄O₃CAS 4521-28-2194.23 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₁₄O₃
Molar mass: 194.23 g/mol
Exact mass: 194.0943 Da
Melting point: 56–59 °C
Boiling point: 205–206 °C (at 13 Torr)
logP: 2.10Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

4521-28-2

SMILES

COc1ccc(CCCC(=O)O)cc1

InChIKey

LZHMNCJMXQKSBY-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O3/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)

Weigh it out

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

Names and synonyms

7 names

Benzenebutanoic acid, 4-methoxy-
Butyric acid, 4-(p-methoxyphenyl)-
Butyric acid, γ-(p-methoxyphenyl)-
4-(p-Methoxyphenyl)butyric acid
4-(4-Methoxyphenyl)butyric acid
4-(4-Methoxyphenyl)butanoic acid
NSC 407553

Work with 4-Methoxybenzenebutanoic 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

3-(4-Methoxyphenyl)propionic acid1929-29-981 % similar (4-Methoxyphenyl)acetic acid104-01-868 % similar 4-Methoxyphenoxyacetic acid1877-75-463 % similar 4-Methylbenzenebutanoic acid4521-22-663 % similar 4-Phenylbutyric acid1821-12-161 % similar 4-Methoxy-γ-oxobenzenebutanoic acid3153-44-461 % similar 4-Hydroxybenzenebutanoic acid7021-11-660 % similar 3,5-Dimethoxyphenylpropionic acid717-94-259 % 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 4-Isopropylphenoxyacetic acid1643-16-9 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4

Elsewhere

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