1-Ethynyl-2-methoxybenzene

C₉H₈OCAS 767-91-9132.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈O
Molar mass: 132.16 g/mol
Exact mass: 132.0575 Da
Boiling point: 92 °C
logP: 1.68Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

767-91-9

SMILES

C#Cc1ccccc1OC

InChIKey

UFOVULIWACVAAC-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O/c1-3-8-6-4-5-7-9(8)10-2/h1,4-7H,2H3

Weigh it out

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

Names and synonyms

8 names

Benzene, 1-ethynyl-2-methoxy-
Anisole, o-ethynyl-
(2-Methoxyphenyl)acetylene
(o-Methoxyphenyl)acetylene
o-Anisylacetylene
o-Ethynylanisole
(2-Methoxyphenyl)ethyne
2-Ethynylanisole

Work with 1-Ethynyl-2-methoxybenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methoxybenzonitrile6609-56-961 % similar 1,2-Dimethoxybenzene91-16-754 % similar 2,3-Dimethoxybenzonitrile5653-62-348 % similar 1-Ethynyl-4-methoxybenzene768-60-547 % similar Tris(2-methoxyphenyl)phosphine4731-65-146 % similar 2-Bromoanisole578-57-445 % similar 2-Methylanisole578-58-545 % similar O-Anisidine90-04-045 % 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 Atropaldehyde4432-63-7

Elsewhere

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