1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene

C23H19F — CID 102146472

IUPAC1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene
SMILESCCc1ccc(-c2ccc(C#Cc3ccc(F)cc3C)cc2)cc1
InChIInChI=1S/C23H19F/c1-3-18-4-10-21(11-5-18)22-12-7-19(8-13-22)6-9-20-14-15-23(24)16-17(20)2/h4-5,7-8,10-16H,3H2,1-2H3
InChIKeyRUHNHQFKXBVILW-UHFFFAOYSA-N
MW314.40 g/mol
LogP5.76
Rot. Bonds2

About 1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene

1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene (PubChem CID 102146472) has the molecular formula C23H19F and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene
PubChem CID102146472
Molecular FormulaC23H19F
Molecular Weight314.40 g/mol
Exact Mass314.15
IUPAC Name1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene
SMILESCCc1ccc(-c2ccc(C#Cc3ccc(F)cc3C)cc2)cc1
InChIInChI=1S/C23H19F/c1-3-18-4-10-21(11-5-18)22-12-7-19(8-13-22)6-9-20-14-15-23(24)16-17(20)2/h4-5,7-8,10-16H,3H2,1-2H3
InChIKeyRUHNHQFKXBVILW-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.40
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-1-[2-(4-methylphenyl)ethynyl]benzene;1-[2-(4-ethylphenyl)ethynyl]-2,4-dimethylbenzene
CID 158296087
1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene
CID 22112244
1-[2-(4-ethylphenyl)ethynyl]-2-fluoro-4-[2-(3-fluoro-4-methylphenyl)ethynyl]benzene
CID 22112309
1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-methylbenzene
CID 22112182
1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene
CID 67865174
4-ethyl-2-fluoro-1-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112344
4-[2-(4-fluorophenyl)ethynyl]-2-methyl-1-[2-(4-pentylphenyl)ethynyl]benzene
CID 100957955
4-[2-(4-fluorophenyl)ethynyl]-1-[2-(4-hexylphenyl)ethynyl]-2-methylbenzene
CID 100957948
4-[2-(4-ethylphenyl)ethynyl]-1-[2-(4-hexylphenyl)ethynyl]-2-methylbenzene
CID 100957953
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
2-[2-(4-ethylphenyl)ethynyl]-4-fluorobenzaldehyde
CID 138968018
4-(4-ethylphenyl)-2-fluoro-1-[2-(4-isothiocyanatophenyl)ethynyl]benzene
CID 129308601

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene?
The IUPAC name of 1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene (CID 102146472) is 1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene is CCc1ccc(-c2ccc(C#Cc3ccc(F)cc3C)cc2)cc1.
What is the InChIKey of 1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene?
The InChIKey is RUHNHQFKXBVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F/c1-3-18-4-10-21(11-5-18)22-12-7-19(8-13-22)6-9-20-14-15-23(24)16-17(20)2/h4-5,7-8,10-16H,3H2,1-2H3.
What are the key properties of 1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene?
1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene has a molecular weight of 314.40 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene is sourced from PubChem (CID 102146472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).