Ethyl olivetolate

C14H20O4CAS 38862-65-6252.31 g/mol

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HOOHOO
EsterPhenol

Properties

Molecular formula
C14H20O4
Molar mass
252.31 g/mol
Exact mass
252.1362 Da
logP
3.01Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

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
38862-65-6
SMILES
CCCCCC1=C(C(=CC(=C1)O)O)C(=O)OCC
InChIKey
ALCUWNWVZNZFHQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H20O4/c1-3-5-6-7-10-8-11(15)9-12(16)13(10)14(17)18-4-2/h8-9,15-16H,3-7H2,1-2H3

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Names and synonyms

1 names
  • Benzoic acid, 2,4-dihydroxy-6-pentyl-, ethyl ester

Work with Ethyl olivetolate

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

Methyl olivetolate58016-28-776 % similar Olivetolic acid491-72-565 % similar 2,4-Dihydroxy-6-propyl-benzoic acid methyl ester55382-52-062 % similar Ethyl orsellinate2524-37-061 % similar Cytosporone B321661-62-556 % similar Hexylresorcinol136-77-647 % similar 4-Dodecylresorcinol24305-56-447 % similar Diethyl 2,5-dihydroxyterephthalate5870-38-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(βR)-2-Methoxy-β-[(tetrahydro-2H-pyran-4-yl)oxy]benzeneethanol1434652-66-0 Tricyclo(3.3.1.13,7)dec-1,3-diyldi(acetic acid)17768-28-4 3,4-Epoxycyclohexylmethyl-3',4'-epoxycyclohexane carboxylate2386-87-0

Elsewhere

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