chempirical

4-Ethoxyphenylacetylene

C10H10OCAS 79887-14-2146.19 g/mol

Open in Covalent MOL file
O
AlkyneEther

Properties

Molecular formula
C10H10O
Molar mass
146.19 g/mol
Exact mass
146.0732 Da
logP
2.07Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

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
79887-14-2
SMILES
CCOC1=CC=C(C=C1)C#C
InChIKey
FRGNOZUOTHMJSC-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O/c1-3-9-5-7-10(8-6-9)11-4-2/h1,5-8H,4H2,2H3

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Names and synonyms

1 names
  • 1-Ethoxy-4-ethynylbenzene

Work with 4-Ethoxyphenylacetylene

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-Eth-1-ynyl-4-(pentyloxy)benzene79887-16-466 % similar 1-Ethynyl-4-(hexyloxy)benzene79887-17-564 % similar 1,4-Diethoxybenzene122-95-263 % similar 4-Ethoxybenzonitrile25117-74-260 % similar 1-Ethynyl-4-methoxybenzene768-60-555 % similar 4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile58743-78-555 % similar Ethyl phenyl ether103-73-150 % similar P-Phenetidine156-43-450 % similar

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

Same formula

α-Methylcinnamaldehyde101-39-3 4-Phenyl-3-buten-2-one122-57-6 2-Phenyl-3-butyn-2-ol127-66-2 trans-4-Phenyl-3-buten-2-one1896-62-4 4-Ethenyl-2,3-dihydrobenzofuran230642-84-9 6-Methyl-1-indanone24623-20-9 4-Methyl-1-indanone24644-78-8 5,8-Dihydro-1-naphthol27673-48-9

Elsewhere

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