chempirical

3-Methoxyphenylacetylene

C9H8OCAS 768-70-7132.16 g/mol

Open in Covalent MOL file
O
AlkyneEther

Properties

Molecular formula
C9H8O
Molar mass
132.16 g/mol
Exact mass
132.0575 Da
Density
1.0224 g/mL (at 20 °C)
Boiling point
88–89 °C (at 16 Torr)
logP
1.68Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
768-70-7
SMILES
C#Cc1cccc(OC)c1
InChIKey
ZASXCTCNZKFDTP-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O/c1-3-8-5-4-6-9(7-8)10-2/h1,4-7H,2H3

Weigh it out

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

Names and synonyms

10 names
  • Anisole, m-ethynyl-
  • 1-Ethynyl-3-methoxybenzene
  • m-Methoxyphenylacetylene
  • m-Ethynylanisole
  • 3-Ethynylanisole
  • m-Methoxyphenylethyne
  • 3-Methoxyphenylethyne
  • m-Anisylacetylene
  • 1-Methoxy-3-ethynylbenzene
  • Benzene, 1-ethynyl-3-methoxy-

Work with 3-Methoxyphenylacetylene

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-Methoxybenzonitrile1527-89-561 % similar 1-Ethynyl-4-methoxybenzene768-60-559 % similar 1,3-Dimethoxybenzene151-10-058 % similar 3-Methylphenylacetylene766-82-552 % similar 3-Methylanisole100-84-548 % similar 3-Methoxybenzenethiol15570-12-448 % similar 3-Chloroanisole2845-89-848 % similar 1-Fluoro-3-methoxybenzene456-49-548 % similar

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

Same formula

Cinnamaldehyde104-55-2 4-Carboxaldehydebenzocyclobutene112892-88-3 (2-Propyn-1-yloxy)benzene13610-02-1 Cinnamaldehyde14371-10-9 3-Phenyl-2-propyn-1-ol1504-58-1 3-Methylbenzofuran21535-97-7 α-Ethynylbenzenemethanol4187-87-5 2-Indanone615-13-4

Elsewhere

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