3-Isopropoxybenzeneboronic acid

C₉H₁₃BO₃CAS 216485-86-8180.01 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₉H₁₃BO₃
Molar mass: 180.01 g/mol
Exact mass: 180.0958 Da
logP: 0.15Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

216485-86-8

SMILES

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

InChIKey

UKZVUHVNTYDSOP-UHFFFAOYSA-N

InChI

InChI=1S/C9H13BO3/c1-7(2)13-9-5-3-4-8(6-9)10(11)12/h3-7,11-12H,1-2H3

Weigh it out

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

Names and synonyms

1 names

3-Isopropoxyphenylboronic acid

Work with 3-Isopropoxybenzeneboronic 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

1-Bromo-3-isopropoxybenzene131738-73-351 % similar 1-(1-Methylethyl) 3-boronobenzoate342002-80-651 % similar 3-Benzyloxyphenylboronic acid156682-54-149 % similar 3-Methylphenylboronic acid17933-03-847 % similar B-[6-(1-Methylethoxy)-3-pyridinyl]boronic acid870521-30-546 % similar 3-Fluorophenylboronic acid768-35-444 % similar (3-Hydroxyphenyl)boronic acid87199-18-644 % similar 1,4-Diisopropoxybenzene7495-78-543 % similar

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

Same formula

2-Ethoxy-5-methylphenylboronic acid123291-97-4 2-Isopropoxyphenylboronic acid138008-97-6 3-Propoxyphenylboronic acid149557-18-6 4-Isopropoxybenzeneboronic acid153624-46-5 4-Propoxyphenylboronic acid186497-67-6

Elsewhere

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