3-Propoxyphenylboronic acid

C₉H₁₃BO₃CAS 149557-18-6180.01 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: 0.16Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Identifiers

CAS number

149557-18-6

SMILES

B(C1=CC(=CC=C1)OCCC)(O)O

InChIKey

SRSWMXFANVKOFH-UHFFFAOYSA-N

InChI

InChI=1S/C9H13BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7,11-12H,2,6H2,1H3

Weigh it out

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

Names and synonyms

1 names

(3-Propoxyphenyl)boronic acid

Work with 3-Propoxyphenylboronic 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

3-Benzyloxyphenylboronic acid156682-54-158 % similar 1-Propyl 3-boronobenzoate850568-78-453 % similar 6-Ethoxynaphthalen-2-yl boronic acid352525-98-551 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-750 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-450 % similar 3-Butoxyphenol18979-72-148 % similar 3-Fluorophenylboronic acid768-35-446 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-345 % 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 4-Isopropoxybenzeneboronic acid153624-46-5 4-Propoxyphenylboronic acid186497-67-6

Elsewhere

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