2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene

C23H21FOS — CID 177128982

IUPAC2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(OC4CC=CC4)cc3)cc2F)s1
InChIInChI=1S/C23H21FOS/c1-2-20-12-14-23(26-20)21-13-9-17(15-22(21)24)16-7-10-19(11-8-16)25-18-5-3-4-6-18/h3-4,7-15,18H,2,5-6H2,1H3
InChIKeyGXXGEZURZHVFQL-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.88
Rot. Bonds5

About 2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene

2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene (PubChem CID 177128982) has the molecular formula C23H21FOS and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene
PubChem CID177128982
Molecular FormulaC23H21FOS
Molecular Weight364.49 g/mol
Exact Mass364.13
IUPAC Name2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(OC4CC=CC4)cc3)cc2F)s1
InChIInChI=1S/C23H21FOS/c1-2-20-12-14-23(26-20)21-13-9-17(15-22(21)24)16-7-10-19(11-8-16)25-18-5-3-4-6-18/h3-4,7-15,18H,2,5-6H2,1H3
InChIKeyGXXGEZURZHVFQL-UHFFFAOYSA-N
XLogP6.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene
CID 174339632
2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
CID 166999874
2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene
CID 170655021
2-cyclobutyloxy-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
CID 166999811
2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
CID 58160698
2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene
CID 166999870
2-[2,6-difluoro-4-(4-propan-2-ylphenyl)phenyl]-5-ethylthiophene
CID 169290393
2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene
CID 170655035
2-[2,6-difluoro-4-[4-(2-fluoroethyl)phenyl]phenyl]-5-ethylthiophene
CID 170293808
4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane
CID 166999930
2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene
CID 170655022
[2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine
CID 164918637

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene?
The IUPAC name of 2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene (CID 177128982) is 2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene.
What is the SMILES notation for 2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene?
The canonical SMILES for 2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene is CCc1ccc(-c2ccc(-c3ccc(OC4CC=CC4)cc3)cc2F)s1.
What is the InChIKey of 2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene?
The InChIKey is GXXGEZURZHVFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FOS/c1-2-20-12-14-23(26-20)21-13-9-17(15-22(21)24)16-7-10-19(11-8-16)25-18-5-3-4-6-18/h3-4,7-15,18H,2,5-6H2,1H3.
What are the key properties of 2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene?
2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene has a molecular weight of 364.49 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopent-3-en-1-yloxyphenyl)-2-fluorophenyl]-5-ethylthiophene is sourced from PubChem (CID 177128982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).