2,5-Dimethoxyphenol

C₈H₁₀O₃CAS 18113-18-3154.16 g/mol

Open in Covalent MOL file

Ether Phenol

Properties

Molecular formula: C₈H₁₀O₃
Molar mass: 154.16 g/mol
Exact mass: 154.0630 Da
logP: 1.41Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

18113-18-3

SMILES

COC1=CC(=C(C=C1)OC)O

InChIKey

KYFBKHRLIHDKPB-UHFFFAOYSA-N

InChI

InChI=1S/C8H10O3/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,9H,1-2H3

Weigh it out

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

Names and synonyms

1 names

2,5-Dimethoxy-phenol

Work with 2,5-Dimethoxyphenol

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

2-Methoxy-5-methylphenol1195-09-162 % similar 1,2,4-Trimethoxybenzene135-77-362 % similar 5-Amino-2-methoxyphenol1687-53-260 % similar 2-Chloro-5-methoxyphenol18113-04-760 % similar 5-Bromo-2-methoxyphenol37942-01-160 % similar 2-Bromo-5-methoxyphenol63604-94-460 % similar 5-Fluoro-2-methoxyphenol72955-97-660 % similar 2-Amino-4-methoxyphenol20734-76-357 % similar

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

Same formula

Hydroxytyrosol10597-60-1 cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-3 3,4-Dimethoxyphenol2033-89-8 (-)-trans-1,2-Cyclohexanedicarboxylic anhydride31982-85-1 2-Hydroxy-3-methoxybenzenemethanol4383-05-5 Isovanillyl alcohol4383-06-6 Vanillyl alcohol498-00-0 3,5-Dimethoxyphenol500-99-2

Elsewhere

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