4,4'-Di-tert-butyldiphenylmethane

C₂₁H₂₈CAS 19099-48-0280.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₂₈
Molar mass: 280.45 g/mol
Exact mass: 280.2191 Da
logP: 5.87Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

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

19099-48-0

SMILES

CC(C)(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)C(C)(C)C

InChIKey

KRMBVBPNWUBFBC-UHFFFAOYSA-N

InChI

InChI=1S/C21H28/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6/h7-14H,15H2,1-6H3

Weigh it out

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Work with 4,4'-Di-tert-butyldiphenylmethane

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-Di-tert-butylbenzene1012-72-267 % similar 4-(1,1-Dimethylethyl)benzeneethanol5406-86-067 % similar 4-tert-Butylbenzyl bromide18880-00-763 % similar 4-tert-Butylbenzyl chloride19692-45-663 % similar 4-(1,1-Dimethylethyl)benzenemethanamine39895-55-163 % similar 4-(tert-Butyl)benzyl mercaptan49543-63-763 % similar 4-tert-Butylbenzyl alcohol877-65-663 % similar 2-(4-tert-Butylphenyl)ethan-1-amine91552-82-860 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook