4-Hydroxy-3,5-dimethoxybenzeneacetonitrile

C₁₀H₁₁NO₃CAS 42973-55-7193.20 g/mol

Open in Covalent MOL file

Ether Nitrile Phenol

Properties

Molecular formula: C₁₀H₁₁NO₃
Molar mass: 193.20 g/mol
Exact mass: 193.0739 Da
logP: 1.48Crippen estimate
Polar surface area: 62.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

42973-55-7

SMILES

COc1cc(CC#N)cc(OC)c1O

InChIKey

UUEJSSNOWXNKAP-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO3/c1-13-8-5-7(3-4-11)6-9(14-2)10(8)12/h5-6,12H,3H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

Benzeneacetonitrile, 4-hydroxy-3,5-dimethoxy-
(4-Hydroxy-3,5-dimethoxyphenyl)acetonitrile
3,5-Dimethoxy-4-hydroxyphenylacetonitrile
2-(4-Hydroxy-3,5-dimethoxyphenyl)acetonitrile

Work with 4-Hydroxy-3,5-dimethoxybenzeneacetonitrile

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

(3,4,5-Trimethoxyphenyl)acetonitrile13338-63-169 % similar (4-Hydroxy-3-methoxyphenyl)acetonitrile4468-59-164 % similar 3,4-Dimethoxybenzeneacetonitrile93-17-462 % similar Syringyl alcohol530-56-358 % similar 2-Hydroxy-3-methoxybenzeneacetonitrile42973-56-855 % similar Methoxyeugenol6627-88-951 % similar 2,6-Dimethoxyhydroquinone15233-65-550 % similar 2,4,6-Trimethoxyphenol20491-92-350 % similar

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

Same formula

N-Benzoyl-dl-alanine1205-02-3 Methyl 4-((hydroxyimino)methyl)-2-methylbenzoate1261169-50-9 (3S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid128502-56-7 N-Formyl-L-phenylalanine13200-85-6 Ethyl oxanilate1457-85-8 (3R)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid152286-30-1 N-Acetyl-dl-phenylglycine15962-46-6 Actarit18699-02-0

Elsewhere

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