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

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Basic information

CAS: 39969-26-1
Standard SMILES: CCCc1ccc(C#Cc2ccc(OC)cc2)cc1
InChIKey: NPCKVHHCQBJJIS-UHFFFAOYSA-N
Molecular formula: C18H18O
Average molar mass: 250.3 g/mol
Monoisotopic mass: 250.13576519

Overview

See also: 1-Methoxy-4-(4-propylphenylethinyl)-benzen (annotation moved to).

Names & identifiers

Preferred name: 1-(2-(4-Methoxyphenyl)ethynyl)-4-propylbenzene
IUPAC: 1-methoxy-4-[2-(4-propylphenyl)ethynyl]benzene
English name: 1-[2-(4-Methoxyphenyl)-1-ethynyl]-4-propylbenzene
Molecular formula: C18H18O
Molecular weight: 250.33

Names & synonyms

1-(2-(4-METHOXYPHENYL)ETHYNYL)-4-PROPYLBENZENE1-[2-(4-methoxyphenyl)ethynyl]-4-propylbenzeneRefChem:42114039969-26-11-methoxy-4-((4-propylphenyl)ethynyl)benzene1-[2-(4-Methoxyphenyl)-1-ethynyl]-4-propylbenzeneMFCD040387951-methoxy-4-[2-(4-propylphenyl)ethynyl]benzene1-Methoxy-4-[(4-propylphenyl)ethynyl]benzene1-methoxy-4-(2-(4-propylphenyl)ethynyl)benzene1-[(4-Methoxyphenyl)ethynyl]-4-propylbenzeneBenzene, 1-[(4-methoxyphenyl)ethynyl]-4-propyl-

Show more names

Propyl p-methoxydiphenylacetylene1-(4-Methoxyphenyl)ethynyl-4-propylbenzene1-(4-Methoxyphenyl)Ethynyl-4-n-Propylbenzene1-Propyl-4-[2-(4-methoxyphenyl)ethynyl]benzene1-(4-Methoxyphenyl)ethynyl-4-propylbenzene, 99+%1-(4-Methoxyphenyl)ethynyl-4-n-propylbenzene, 99+%

3PMeOPa1-[(4-Methoxyphenyl)ethynyl]-4-n-propylbenzeneBenzene, 1-[2-(4-methoxyphenyl)ethynyl]-4-propyl-SCHEMBL7511210DTXSID10628850NPCKVHHCQBJJIS-UHFFFAOYSA-NAKOS015918083SB66962

Database identifiers

CAS: 39969-26-1
PubChem CID: 22908548
DTXSID: DTXSID10628850
Nikkaji: J1.888.485B

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 305

Experimental & physicochemical properties

Chemical ClassesLiquid Crystal (LCM) Monomers

SpringerMaterials PropertiesChemical diffusion

Physicochemical properties

Melting point: 61 °C · 61°C
Boiling point: 162 · 162-164°C/1mm
Density: 1.05 · 1.05±0.1 g/cm3(Predicted)
Flash point: 162 · 162-164°C/1mm
storage temp.: Sealed in dry,Room Temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Related reactions

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Compound notes

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