chempirical

1-[2-(4-Methoxyphenyl)ethynyl]-4-propylbenzene

C18H18OCAS 39969-26-1250.34 g/mol

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O
AlkyneEther

Properties

Molecular formula
C18H18O
Molar mass
250.34 g/mol
Exact mass
250.1358 Da
logP
4.05Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
39969-26-1
SMILES
CCCc1ccc(C#Cc2ccc(OC)cc2)cc1
InChIKey
NPCKVHHCQBJJIS-UHFFFAOYSA-N
InChI
InChI=1S/C18H18O/c1-3-4-15-5-7-16(8-6-15)9-10-17-11-13-18(19-2)14-12-17/h5-8,11-14H,3-4H2,1-2H3

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Names and synonyms

6 names
  • Benzene, 1-[2-(4-methoxyphenyl)ethynyl]-4-propyl-
  • Benzene, 1-[(4-methoxyphenyl)ethynyl]-4-propyl-
  • p-[(p-Propylphenyl)ethynyl]anisole
  • PTP 3O1
  • 3-Btb-o1
  • 1-Methoxy-4-[2-(4-propylphenyl)ethynyl]benzene

Work with 1-[2-(4-Methoxyphenyl)ethynyl]-4-propylbenzene

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-Propylanisole104-45-078 % similar 1-Ethyl-4-methoxybenzene1515-95-352 % similar Bis(4-methoxybenzyl)amine17061-62-050 % similar 4-Methoxybenzenepropanenitrile22442-48-449 % similar 1-(2-Chloroethyl)-4-methoxybenzene18217-00-048 % similar 2-(4-Methoxyphenyl)ethylamine55-81-248 % similar 2-(4-Methoxyphenyl)ethanol702-23-848 % similar N-Methyl-4-methoxybenzylamine702-24-947 % similar

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

Elsewhere

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