2-Isopropoxyphenylboronic acid

C₉H₁₃BO₃CAS 138008-97-6180.01 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

138008-97-6

SMILES

B(C1=CC=CC=C1OC(C)C)(O)O

InChIKey

XDMKBIIRBDPSOE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Isopropoxyphenylboronic 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-Methoxyphenylboronic acid5720-06-958 % similar (2-Phenoxyphenyl)boronic acid108238-09-156 % similar 2-Isopropoxyphenol4812-20-853 % similar 1-Bromo-2-(1-methylethoxy)benzene701-07-550 % similar 2-Methylphenylboronic acid16419-60-644 % similar Propoxur114-26-143 % similar 2-Fluoro-3-methoxyphenylboronic acid352303-67-442 % similar B-[6-(1-Methylethoxy)-3-pyridinyl]boronic acid870521-30-541 % similar

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

Same formula

2-Ethoxy-5-methylphenylboronic acid123291-97-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook