chempirical

3-Ethoxybenzeneboronic acid

C8H11BO3CAS 90555-66-1165.98 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

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
90555-66-1
SMILES
B(C1=CC(=CC=C1)OCC)(O)O
InChIKey
CHCWUTJYLUBETR-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(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.

Names and synonyms

1 names
  • 3-Ethoxyphenylboronic acid

Work with 3-Ethoxybenzeneboronic 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-Propoxyphenylboronic acid149557-18-676 % similar 3-Butoxyphenylboronic acid352534-81-771 % similar 6-Ethoxynaphthalen-2-yl boronic acid352525-98-568 % similar 1,3-Diethoxybenzene2049-73-262 % similar 3-Benzyloxy-phenylboronic acid156682-54-161 % similar (3-Methoxyphenyl)boronic acid10365-98-761 % similar 3-Ethoxyphenol621-34-156 % similar 3-Isopropoxybenzeneboronic acid216485-86-856 % 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 4-Ethoxyphenylboronic acid22237-13-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook