Nordihydroguaiaretic acid

C₁₈H₂₂O₄CAS 500-38-9302.37 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₁₈H₂₂O₄
Molar mass: 302.37 g/mol
Exact mass: 302.1518 Da
Melting point: 185.5 °C
logP: 3.57Crippen estimate
Polar surface area: 80.9 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation99.5% of notifiers
H319 Causes serious eye irritation99.5% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 188 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

500-38-9

SMILES

CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1

InChIKey

HCZKYJDFEPMADG-UHFFFAOYSA-N

InChI

InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3

Weigh it out

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

Names and synonyms

15 names · show all

1,2-Benzenediol, 4,4′-(2,3-dimethyl-1,4-butanediyl)bis-
Pyrocatechol, 4,4′-(2,3-dimethyltetramethylene)di-
4,4′-(2,3-Dimethyl-1,4-butanediyl)bis[1,2-benzenediol]
Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-
Dihydronorguaiaretic acid
β,γ-Dimethyl-α,δ-bis(3,4-dihydroxyphenyl)butane
4,4′-(2,3-Dimethyltetramethylene)dipyrocatechol
Dinorguaiaretic acid, dihydro-
NDGA
Norguaiaretic acid, dihydro-
4,4′-(2,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol)
1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane
NSC 4291
4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
Nordihydroguaretic acid

Work with Nordihydroguaiaretic 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-Dihydroxybenzyl alcohol3897-89-057 % similar 4-Ethyl-1,2-benzenediol1124-39-655 % similar Macelignan107534-93-053 % similar Danshensu76822-21-449 % similar Hydroxytyrosol10597-60-148 % similar N-Methyldopa53663-27-748 % similar D-Dopa5796-17-847 % similar DOPA59-92-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-1,4-Di-O-benzyl-L-threitol17401-06-8 Hydride-L41639-74-1 (+)-1,4-Di-O-benzyl-D-threitol91604-41-0

Elsewhere

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