2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene

C26H29FOS — CID 166999870

IUPAC2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene
SMILESCCCC1CCC(Oc2ccc(-c3ccc(-c4ccc(CC)cc4)cc3F)s2)C1
InChIInChI=1S/C26H29FOS/c1-3-5-19-8-12-22(16-19)28-26-15-14-25(29-26)23-13-11-21(17-24(23)27)20-9-6-18(4-2)7-10-20/h6-7,9-11,13-15,17,19,22H,3-5,8,12,16H2,1-2H3
InChIKeyYEAYAMHYGLZPLV-UHFFFAOYSA-N
MW408.58 g/mol
LogP8.13
Rot. Bonds7

About 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene

2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene (PubChem CID 166999870) has the molecular formula C26H29FOS and a molecular weight of 408.58 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene
PubChem CID166999870
Molecular FormulaC26H29FOS
Molecular Weight408.58 g/mol
Exact Mass408.19
IUPAC Name2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene
SMILESCCCC1CCC(Oc2ccc(-c3ccc(-c4ccc(CC)cc4)cc3F)s2)C1
InChIInChI=1S/C26H29FOS/c1-3-5-19-8-12-22(16-19)28-26-15-14-25(29-26)23-13-11-21(17-24(23)27)20-9-6-18(4-2)7-10-20/h6-7,9-11,13-15,17,19,22H,3-5,8,12,16H2,1-2H3
InChIKeyYEAYAMHYGLZPLV-UHFFFAOYSA-N
XLogP8.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.58
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyloxy-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
CID 166999811
2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
CID 166999874
2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene
CID 166999838
2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
CID 58160698
4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane
CID 166999930
2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene
CID 177128982
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene
CID 144658300
2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
CID 154607322
2-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
CID 143775701
1-bromo-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene
CID 118362130
2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene
CID 174171984
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene?
The IUPAC name of 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene (CID 166999870) is 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene?
The canonical SMILES for 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene is CCCC1CCC(Oc2ccc(-c3ccc(-c4ccc(CC)cc4)cc3F)s2)C1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene?
The InChIKey is YEAYAMHYGLZPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FOS/c1-3-5-19-8-12-22(16-19)28-26-15-14-25(29-26)23-13-11-21(17-24(23)27)20-9-6-18(4-2)7-10-20/h6-7,9-11,13-15,17,19,22H,3-5,8,12,16H2,1-2H3.
What are the key properties of 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene?
2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene has a molecular weight of 408.58 g/mol, XLogP of 8.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene is sourced from PubChem (CID 166999870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).