4-(4-Fluorophenylethynyl)phenol

C₁₄H₉FOCAS 197770-48-2212.22 g/mol

Open in Covalent MOL file

Alkyne Aryl halide Phenol

Properties

Molecular formula: C₁₄H₉FO
Molar mass: 212.22 g/mol
Exact mass: 212.0637 Da
logP: 2.93Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

197770-48-2

SMILES

C1=CC(=CC=C1C#CC2=CC=C(C=C2)F)O

InChIKey

LIPHCUGEWJPCQB-UHFFFAOYSA-N

InChI

InChI=1S/C14H9FO/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10,16H

Weigh it out

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

Work with 4-(4-Fluorophenylethynyl)phenol

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

4-Fluorophenol371-41-571 % similar 4′-Fluoro[1,1′-biphenyl]-4-ol324-94-763 % similar 4-Fluoro-4'-hydroxybenzophenone25913-05-750 % similar 4-[[(4-Fluorophenyl)imino]methyl]phenol3382-63-645 % similar 4-Fluorobenzonitrile1194-02-144 % similar 1-Ethynyl-4-fluorobenzene766-98-344 % similar 4-Cyanophenol767-00-044 % similar Hydroquinone123-31-943 % similar

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

Elsewhere

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