4-Isopropylphenylboronic acid

C9H13BO2CAS 16152-51-5164.01 g/mol

Open in Covalent MOL file
BHOHO
Boronic acid

Properties

Molecular formula
C9H13BO2
Molar mass
164.01 g/mol
Exact mass
164.1009 Da
logP
0.49Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
16152-51-5
SMILES
B(C1=CC=C(C=C1)C(C)C)(O)O
InChIKey
IAEUFBDMVKQCLU-UHFFFAOYSA-N
InChI
InChI=1S/C9H13BO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7,11-12H,1-2H3

Weigh it out

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Names and synonyms

1 names
  • 4-Isopropylbenzeneboronic acid

Work with 4-Isopropylphenylboronic 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

1,4-Diisopropylbenzene100-18-557 % similar 1,4-Benzenediboronic acid4612-26-457 % similar (4-Isobutylphenyl)boronic acid153624-38-550 % similar 4-Isopropoxybenzeneboronic acid153624-46-550 % similar 4,4'-Diisopropylbiphenyl18970-30-450 % similar 4-Cyclohexylbenzeneboronic acid374538-04-250 % similar 4-(Isopropylthio)benzeneboronic acid380427-38-350 % similar 4,4'-Biphenyldiboronic acid4151-80-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Propylphenyl)boronic acid134150-01-9 3-Isopropylbenzeneboronic acid216019-28-2 2,4,6-Trimethylbenzeneboronic acid5980-97-2 2-Isopropylbenzeneboronic acid89787-12-2

Elsewhere

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