chempirical

tert-Butyl 4'-methylbiphenyl-2-carboxylate

C18H20O2CAS 114772-36-0268.36 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C18H20O2
Molar mass
268.36 g/mol
Exact mass
268.1463 Da
logP
4.62Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
114772-36-0
SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C
InChIKey
OWEDFWZJRNPJIV-UHFFFAOYSA-N
InChI
InChI=1S/C18H20O2/c1-13-9-11-14(12-10-13)15-7-5-6-8-16(15)17(19)20-18(2,3)4/h5-12H,1-4H3

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Work with tert-Butyl 4'-methylbiphenyl-2-carboxylate

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

tert-Butyl 4-bromomethylbiphenyl-2-carboxylate114772-40-667 % similar Methyl 4′-methylbiphenyl-2-carboxylate114772-34-867 % similar 1,1-Dimethylethyl 4-methylbenzoate13756-42-858 % similar 4′-Methyl[1,1′-biphenyl]-2-carboxylic acid7148-03-054 % similar Methyl 4′-(bromomethyl)biphenyl-2-carboxylate114772-38-244 % similar tert-Butyl 4-iodobenzoate120363-13-539 % similar 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-339 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 1,1-dimethylethyl carbonate15263-20-438 % similar

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

Same formula

Benzoin isobutyl ether22499-12-3 Trendione4642-95-9 Equilin474-86-2 Ethyl 2,4-diphenylbutanoate53608-81-4 Diethylstilbestrol56-53-1 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-4 Bisphenol Z843-55-0

Elsewhere

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