chempirical

4-Ethoxyphenylboronic acid

C8H11BO3CAS 22237-13-4165.98 g/mol

Open in Covalent MOL file
BOHOHO
Boronic acidEther

Properties

Molecular formula
C8H11BO3
Molar mass
165.98 g/mol
Exact mass
166.0801 Da
logP
-0.23Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
22237-13-4
SMILES
B(C1=CC=C(C=C1)OCC)(O)O
InChIKey
WRQNDLDUNQMTCL-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3

Weigh it out

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

Work with 4-Ethoxyphenylboronic 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

6-Ethoxynaphthalen-2-yl boronic acid352525-98-571 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-764 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-464 % similar 1,4-Diethoxybenzene122-95-263 % similar (4-Methoxyphenyl)boronic acid5720-07-055 % similar 4-Ethoxyphenol622-62-855 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-353 % similar B-(3-Ethoxy-4-fluorophenyl)boronic acid900174-65-453 % similar

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

Same formula

2-Methoxymethylphenylboronic acid126617-98-9 2-Methoxy-5-methylphenylboronic acid127972-00-3 3-Methoxymethylphenylboronic acid142273-84-5 (4-Methoxy-3-methylphenyl)boronic acid175883-62-2 (4-Methoxy-2-methylphenyl)boronic acid208399-66-0 (2-Ethoxyphenyl)boronic acid213211-69-9

Elsewhere

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