4-Ethoxy-2-methylphenylboronic acid

C9H13BO3CAS 313545-31-2180.01 g/mol

Open in Covalent MOL file
BOHOHO
Boronic acidEther

Properties

Molecular formula
C9H13BO3
Molar mass
180.01 g/mol
Exact mass
180.0958 Da
logP
0.07Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
313545-31-2
SMILES
B(C1=C(C=C(C=C1)OCC)C)(O)O
InChIKey
MBEQXBKSJCOKJF-UHFFFAOYSA-N
InChI
InChI=1S/C9H13BO3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6,11-12H,3H2,1-2H3

Weigh it out

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

Work with 4-Ethoxy-2-methylphenylboronic 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-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)313545-44-765 % similar 4-Benzyloxy-2-methylphenylboronic acid847560-49-064 % similar (4-Methoxy-2-methylphenyl)boronic acid208399-66-063 % similar (6-Ethoxynaphthalen-2-yl)boronic acid352525-98-555 % similar 4-Ethoxyphenylboronic acid22237-13-454 % similar 3-Ethoxybenzeneboronic acid90555-66-153 % similar B-(2,4-Dimethylphenyl)boronic acid55499-44-051 % similar B-(4-Hydroxy-2-methylphenyl)boronic acid493035-82-850 % 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 3-Isopropoxybenzeneboronic acid216485-86-8 3,5-Dimethyl-4-methoxybenzeneboronic acid301699-39-8 (2,6-Dimethyl-4-methoxyphenyl)boronic acid361543-99-9

Elsewhere

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