α-Phenyl-α-(2-phenylethynyl)benzenemethanol

C₂₁H₁₆OCAS 1522-13-0284.36 g/mol

Open in Covalent MOL file

Alcohol Alkyne

Properties

Molecular formula: C₂₁H₁₆O
Molar mass: 284.36 g/mol
Exact mass: 284.1201 Da
Melting point: 82 °C
logP: 3.97Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H312 Harmful in contact with skin97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1522-13-0

SMILES

OC(C#Cc1ccccc1)(c1ccccc1)c1ccccc1

InChIKey

VWRQCJRTHKUVNF-UHFFFAOYSA-N

InChI

InChI=1S/C21H16O/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,22H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Benzenemethanol, α-phenyl-α-(2-phenylethynyl)-
2-Propyn-1-ol, 1,1,3-triphenyl-
Benzenemethanol, α-phenyl-α-(phenylethynyl)-
1,1,3-Triphenylpropargyl alcohol
1,1,3-Triphenyl-2-propyn-1-ol
1,1,3-Triphenylpropyn-1-ol
Diphenyl(phenylethynyl)methanol
NSC 52241
1,1,3-Triphenyl-2-propyne-1-ol

Work with α-Phenyl-α-(2-phenylethynyl)benzenemethanol

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

1,1,4,4-Tetraphenyl-2-butyne-1,4-diol1483-74-571 % similar Diphenylethynylcarbinol3923-52-252 % similar Diphenylacetylene501-65-546 % similar 1,4-Bis(2-phenylethynyl)benzene1849-27-044 % similar Diphenylbutadiyne886-66-842 % similar Benzopinacol464-72-241 % similar Triphenylmethanol76-84-641 % similar 3-Phenyl-2-propyn-1-ol1504-58-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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