n-Octanoyl-5-salicylic acid

C₁₅H₂₀O₄CAS 78418-01-6264.32 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone Phenol

Properties

Molecular formula: C₁₅H₂₀O₄
Molar mass: 264.32 g/mol
Exact mass: 264.1362 Da
logP: 3.63Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 8

Hazards

Danger

H317 May cause an allergic skin reaction97.6% of notifiers
H318 Causes serious eye damage97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

78418-01-6

SMILES

CCCCCCCC(=O)c1ccc(O)c(C(=O)O)c1

InChIKey

IXIGWKNBFPKCCD-UHFFFAOYSA-N

InChI

InChI=1S/C15H20O4/c1-2-3-4-5-6-7-13(16)11-8-9-14(17)12(10-11)15(18)19/h8-10,17H,2-7H2,1H3,(H,18,19)

Weigh it out

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

Names and synonyms

7 names

Benzoic acid, 2-hydroxy-5-(1-oxooctyl)-
2-Hydroxy-5-(1-oxooctyl)benzoic acid
5-Octanoylsalicylic acid
Effaclark
5-n-Octanoylsalicylic acid
2-Hydroxy-5-octanoylbenzoic acid
β-Lipohydroxy acid

Work with n-Octanoyl-5-salicylic 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′-Hydroxyheptanophenone14392-72-457 % similar 4-Hydroxyisophthalic acid636-46-456 % similar 5-Acetylsalicylic acid13110-96-855 % similar 4′-Hydroxyhexanophenone2589-72-255 % similar Heptanophenone1671-75-650 % similar Octanophenone1674-37-950 % similar Dodecanophenone1674-38-050 % similar 1-Phenylnonan-1-one6008-36-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2'S,3'R,6'R)-2',3'-Dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethylspiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one1149-99-1 6-(4-Hydroxyphenoxy)hexyl prop-2-enoate161841-12-9 Abscisic acid21293-29-8 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-8 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-5

Elsewhere

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