3-(4-Chloro-phenyl)-prop-2-yn-1-ol

C₉H₇ClOCAS 37614-57-6166.60 g/mol

Open in Covalent MOL file

Alcohol Alkyne Aryl halide

Properties

Molecular formula: C₉H₇ClO
Molar mass: 166.60 g/mol
Exact mass: 166.0185 Da
logP: 1.68Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

37614-57-6

SMILES

C1=CC(=CC=C1C#CCO)Cl

InChIKey

AARLJMFYTTUPGP-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2

Weigh it out

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Names and synonyms

1 names

3-(4-Chlorophenyl)prop-2-yn-1-ol

Work with 3-(4-Chloro-phenyl)-prop-2-yn-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

3-Phenyl-2-propyn-1-ol1504-58-159 % similar 3-(3-Bromophenyl)prop-2-yn-1-ol170859-80-047 % similar 4-Chlorobenzonitrile623-03-046 % similar 4-Chlorophenylacetylene873-73-441 % similar 4-Chlorobenzyl alcohol873-76-741 % similar 4-Chlorobenzeneethanol1875-88-340 % similar 3-[3,5-Bis(trifluoromethyl)phenyl]prop-2-yn-1-ol81613-61-840 % similar 1,4-Dichlorobenzene106-46-739 % similar

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

Same formula

Cinnamoyl chloride102-92-1 6-Chloro-1-indanone14548-38-0 4-Chloroindan-1-one15115-59-0 7-Chloro-2,3-dihydro-1H-inden-1-one34911-25-6 5-Chloro-1-indanone42348-86-7 4-Chlorocinnamaldehyde49678-02-6 (2E)-3-(3-Chlorophenyl)-2-propenal56578-37-1

Elsewhere

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