chempirical

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

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

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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 P-Tolylboronic acid5720-05-850 % similar (4-Hydroxyphenyl)boronic acid71597-85-846 % similar P-Cymene99-87-646 % similar B-[4-[(1-Methylethyl)sulfonyl]phenyl]boronic acid850567-98-545 % similar 4-tert-Butylphenylboronic acid123324-71-045 % similar [4-(Trimethylsilyl)phenyl]boronic acid17865-11-145 % similar 4-(Dimethylamino)phenylboronic acid28611-39-445 % 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

Elsewhere

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