2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene

C23H22F2OS — CID 166999838

IUPAC2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(OC4CCCC4)s3)c(F)c2F)cc1
InChIInChI=1S/C23H22F2OS/c1-2-15-7-9-16(10-8-15)18-11-12-19(23(25)22(18)24)20-13-14-21(27-20)26-17-5-3-4-6-17/h7-14,17H,2-6H2,1H3
InChIKeyDXQGPCHZEZUWRV-UHFFFAOYSA-N
MW384.49 g/mol
LogP7.24
Rot. Bonds5

About 2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene

2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene (PubChem CID 166999838) has the molecular formula C23H22F2OS and a molecular weight of 384.49 g/mol. Its IUPAC name is 2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene.

Molecular Properties

Compound Name2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene
PubChem CID166999838
Molecular FormulaC23H22F2OS
Molecular Weight384.49 g/mol
Exact Mass384.14
IUPAC Name2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(OC4CCCC4)s3)c(F)c2F)cc1
InChIInChI=1S/C23H22F2OS/c1-2-15-7-9-16(10-8-15)18-11-12-19(23(25)22(18)24)20-13-14-21(27-20)26-17-5-3-4-6-17/h7-14,17H,2-6H2,1H3
InChIKeyDXQGPCHZEZUWRV-UHFFFAOYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.49
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene
CID 166999855
2-cyclobutyloxy-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
CID 166999811
2-[4-(4-ethylphenyl)-2-fluorophenyl]-5-(3-propylcyclopentyl)oxythiophene
CID 166999870
2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene
CID 166999651
2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene
CID 174171984
4-(4-ethylphenyl)-2,3-difluorophenol
CID 19911018
2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene
CID 166999822
2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene
CID 170655022
4-[[5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophen-2-yl]oxymethyl]oxane
CID 166999852
2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene
CID 171813065
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene?
The IUPAC name of 2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene (CID 166999838) is 2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene.
What is the SMILES notation for 2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene?
The canonical SMILES for 2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene is CCc1ccc(-c2ccc(-c3ccc(OC4CCCC4)s3)c(F)c2F)cc1.
What is the InChIKey of 2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene?
The InChIKey is DXQGPCHZEZUWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2OS/c1-2-15-7-9-16(10-8-15)18-11-12-19(23(25)22(18)24)20-13-14-21(27-20)26-17-5-3-4-6-17/h7-14,17H,2-6H2,1H3.
What are the key properties of 2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene?
2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene has a molecular weight of 384.49 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene is sourced from PubChem (CID 166999838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).