3-(Hydroxymethyl)-4-methoxyphenylboronic Acid

C₈H₁₁BO₄CAS 908142-03-0181.98 g/mol

Open in Covalent MOL file

Alcohol Boronic acid Ether

Properties

Molecular formula: C₈H₁₁BO₄
Molar mass: 181.98 g/mol
Exact mass: 182.0750 Da
logP: -1.13Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

908142-03-0

SMILES

B(C1=CC(=C(C=C1)OC)CO)(O)O

InChIKey

DOQUCBSZQOPLGT-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-4,10-12H,5H2,1H3

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Names and synonyms

1 names

(3-(Hydroxymethyl)-4-methoxyphenyl)boronic acid

Work with 3-(Hydroxymethyl)-4-methoxyphenylboronic 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

2,5-Dimethoxybenzyl alcohol33524-31-160 % similar (4-Methoxy-3-methylphenyl)boronic acid175883-62-258 % similar 3-Fluoro-4-methoxybenzeneboronic acid149507-26-657 % similar 3-Chloro-4-methoxybenzeneboronic acid175883-60-057 % similar 5-Bromo-2-methoxybenzenemethanol80866-82-657 % similar 4-Fluoro-3-(hydroxymethyl)benzeneboronic acid481681-02-154 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-753 % similar B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-353 % similar

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

Same formula

2,5-Dimethoxyphenylboronic acid107099-99-0 3,4-Dimethoxyphenylboronic acid122775-35-3 2,4-Dimethoxybenzeneboronic acid133730-34-4 3,5-Dimethoxyphenylboronic acid192182-54-0 2,6-Dimethoxyphenylboronic acid23112-96-1 2,3-Dimethoxyphenylboronic acid40972-86-9

Elsewhere

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