chempirical

1,1-Di-P-tolyl-2-propyn-1-ol

C17H16OCAS 93318-88-8236.31 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

Properties

Molecular formula
C17H16O
Molar mass
236.31 g/mol
Exact mass
236.1201 Da
logP
3.17Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
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
93318-88-8
SMILES
CC1=CC=C(C=C1)C(C#C)(C2=CC=C(C=C2)C)O
InChIKey
QVOQIPRHIKMPFE-UHFFFAOYSA-N
InChI
InChI=1S/C17H16O/c1-4-17(18,15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h1,5-12,18H,2-3H3

Weigh it out

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Work with 1,1-Di-P-tolyl-2-propyn-1-ol

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

Diphenylethynylcarbinol3923-52-261 % similar 1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol101597-25-559 % similar 1-p-Tolylcyclopropanol40122-37-045 % similar 4-tert-Butyltoluene98-51-141 % similar 1-Methyl-4-(trifluoromethyl)benzene6140-17-640 % similar 4-Methylphenylacetylene766-97-240 % similar 2-Phenyl-3-butyn-2-ol127-66-238 % similar P-Xylene106-42-338 % similar

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

Elsewhere

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