4-Ethoxybenzeneacetic acid

C₁₀H₁₂O₃CAS 4919-33-9180.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₂O₃
Molar mass: 180.20 g/mol
Exact mass: 180.0786 Da
Melting point: 87–90 °C
logP: 1.71Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4919-33-9

SMILES

CCOc1ccc(CC(=O)O)cc1

InChIKey

ZVVWZNFSMIFGEP-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Benzeneacetic acid, 4-ethoxy-
Acetic acid, (p-ethoxyphenyl)-
(p-Ethoxyphenyl)acetic acid
4-Ethoxyphenylacetic acid
2-(4-Ethoxyphenyl)acetic acid

Work with 4-Ethoxybenzeneacetic 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-Ethoxybenzenepropanoic acid4919-34-074 % similar 4-Butoxybenzeneacetic acid4547-57-372 % similar 3,4-Diethoxybenzeneacetic acid38464-04-965 % similar (4-Methoxyphenyl)acetic acid104-01-865 % similar 4-Benzyloxyphenylacetic acid6547-53-162 % similar 1,4-Benzenediacetic acid7325-46-462 % similar 3-Ethoxy-4-hydroxybenzeneacetic acid80018-50-460 % similar 4-(4-Ethoxyphenyl)-4-oxobutanoic acid53623-37-359 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2',5'-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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