Diphenylethynylcarbinol

C₁₅H₁₂OCAS 3923-52-2208.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₂O
Molar mass: 208.26 g/mol
Exact mass: 208.0888 Da
Melting point: 44.5 °C
Boiling point: 177–178 °C (at NaN Torr)
logP: 2.56Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation98.7% of notifiers
H319 Causes serious eye irritation98.7% of notifiers
H335 May cause respiratory irritation97.5% of notifiers
H412 Harmful to aquatic life with long lasting effects44.3% of notifiers

Aggregated from 79 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3923-52-2

SMILES

C#CC(O)(c1ccccc1)c1ccccc1

InChIKey

SMCLTAARQYTXLW-UHFFFAOYSA-N

InChI

InChI=1S/C15H12O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12,16H

Weigh it out

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

Names and synonyms

12 names

1,1-Diphenyl-2-propyn-1-ol
Benzenemethanol, α-ethynyl-α-phenyl-
2-Propyn-1-ol, 1,1-diphenyl-
α-Ethynyl-α-phenylbenzenemethanol
1,1-Diphenylpropargyl alcohol
3,3-Diphenyl-3-hydroxy-1-propyne
Ethynyldiphenylmethanol
1,1-Diphenylpropyn-1-ol
NSC 113228
1,1-Diphenyl-1-hydroxy-2-propyne
3,3-Diphenyl-propyn-1-ol
1,1-Diphenyl-2-propyne-1-ol

Work with Diphenylethynylcarbinol

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-diol1483-74-563 % similar 1,1-Di-P-tolyl-2-propyn-1-ol93318-88-861 % similar 2-Phenyl-3-butyn-2-ol127-66-257 % similar 1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol101597-25-555 % similar α-Phenyl-α-(2-phenylethynyl)benzenemethanol1522-13-052 % similar 1,1,1-Trifluoro-2-phenyl-3-butyn-2-ol99727-20-552 % similar Benzopinacol464-72-244 % similar Triphenylmethanol76-84-644 % similar

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

Same formula

Dibenzosuberone1210-35-1 9-Anthracenemethanol1468-95-7 (±)-3-Phenyl-1-indanone16618-72-7 trans-Chalcone614-47-1 2-Acetyl-9H-fluorene781-73-7 Chalcone94-41-7

Elsewhere

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