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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

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-Bromo-4-hydroxy-5-methoxyphenylacetonitrile81038-44-077 % similar 3,4,5-Trimethoxyphenylacetonitrile13338-63-169 % similar (4-Hydroxy-3-methoxyphenyl)acetonitrile4468-59-164 % similar 3,4-Dimethoxybenzeneacetonitrile93-17-462 % similar 3,5-Dimethoxyphenylacetonitrile13388-75-558 % similar Syringyl alcohol530-56-358 % similar 2-Hydroxy-3-methoxyphenylacetonitrile42973-56-855 % similar 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile1611-07-051 % 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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