4-(1-Methylethoxy)benzoic acid

C₁₀H₁₂O₃CAS 13205-46-4180.20 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid

Properties

Molecular formula: C₁₀H₁₂O₃
Molar mass: 180.20 g/mol
Exact mass: 180.0786 Da
Melting point: 161 °C
logP: 2.17Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

13205-46-4

SMILES

CC(C)Oc1ccc(C(=O)O)cc1

InChIKey

ZVERWTXKKWSSHH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Benzoic acid, 4-(1-methylethoxy)-
Benzoic acid, p-isopropoxy-
4-Isopropoxybenzoic acid
4-(Isopropyloxy)benzoic acid
p-Isopropoxybenzoic acid
4-(2-Propyloxy)benzoic acid
NSC 16646
4-[(Propan-2-yl)oxy]benzoic acid

Work with 4-(1-Methylethoxy)benzoic 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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2 2-(2,4-Dimethylphenoxy)acetic acid13334-49-1

Elsewhere

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