4-Bromo-3,5-dimethoxybenzyl alcohol

C₉H₁₁BrO₃CAS 61367-62-2247.09 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether

Properties

Molecular formula: C₉H₁₁BrO₃
Molar mass: 247.09 g/mol
Exact mass: 245.9892 Da
logP: 1.96Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

61367-62-2

SMILES

COC1=CC(=CC(=C1Br)OC)CO

InChIKey

TYICCDYGCBAFCB-UHFFFAOYSA-N

InChI

InChI=1S/C9H11BrO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-4,11H,5H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

(4-Bromo-3,5-dimethoxyphenyl)methanol

Work with 4-Bromo-3,5-dimethoxybenzyl alcohol

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-Trimethoxybenzyl alcohol3840-31-166 % similar Syringyl alcohol530-56-363 % similar Veratrole alcohol93-03-858 % similar 3,5-Dimethoxybenzenemethanol705-76-053 % similar Vanillyl alcohol498-00-053 % similar (4-Fluoro-3-methoxyphenyl)methanol128495-45-451 % similar Isovanillyl alcohol4383-06-649 % similar 4-Bromo-2-methoxybenzyl alcohol 9717102-63-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1,3,5-trimethoxybenzene1131-40-4 1-Bromo-3,4,5-trimethoxybenzene2675-79-8

Elsewhere

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