4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane

C26H27FO2S — CID 166999930

IUPAC4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane
SMILESFc1cc(-c2ccc(C3CCCC3)cc2)ccc1-c1ccc(OC2CCOCC2)s1
InChIInChI=1S/C26H27FO2S/c27-24-17-21(20-7-5-19(6-8-20)18-3-1-2-4-18)9-10-23(24)25-11-12-26(30-25)29-22-13-15-28-16-14-22/h5-12,17-18,22H,1-4,13-16H2
InChIKeyMDLWCVBYAKSPAM-UHFFFAOYSA-N
MW422.57 g/mol
LogP7.44
Rot. Bonds5

About 4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane

4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane (PubChem CID 166999930) has the molecular formula C26H27FO2S and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane.

Molecular Properties

Compound Name4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane
PubChem CID166999930
Molecular FormulaC26H27FO2S
Molecular Weight422.57 g/mol
Exact Mass422.17
IUPAC Name4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane
SMILESFc1cc(-c2ccc(C3CCCC3)cc2)ccc1-c1ccc(OC2CCOCC2)s1
InChIInChI=1S/C26H27FO2S/c27-24-17-21(20-7-5-19(6-8-20)18-3-1-2-4-18)9-10-23(24)25-11-12-26(30-25)29-22-13-15-28-16-14-22/h5-12,17-18,22H,1-4,13-16H2
InChIKeyMDLWCVBYAKSPAM-UHFFFAOYSA-N
XLogP7.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Fluoro-4-methoxy-phenyl)-5-(4-hexyl-phenyl)-thiophene
CID 19757570
2-[3-Fluoro-4-(hexyloxy)phenyl]-5-(4-hexylphenyl)thiophene
CID 54519736
2-[(E,2S)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)but-3-en-2-yl]-5-(4-methylphenyl)thiophene
CID 138984848
2-[Bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene
CID 15503022
2,6-Bis(4-ethylphenyl)-4-(4-pentoxyphenyl)thiopyrylium
CID 6451483
3-[3,3,4,4,5,5-Hexafluoro-2-(5-phenyl-2-propan-2-yloxythiophen-3-yl)cyclopenten-1-yl]-5-phenyl-2-propan-2-yloxythiophene
CID 10864985
CID 19757569
CID 19757569
2-[5-(4-Fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-4-(methoxymethyl)thiophene
CID 21269632
2-[5-(4-Fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-4-propan-2-ylthiophene
CID 21269876
Butyl-[3-[2-fluoro-4-[5-(4-hexylphenyl)thiophen-2-yl]phenoxy]propyl]-dimethylsilane
CID 21734746
{3-(Phenoxymethyl)-5-[4-(trifluoromethyl)phenyl]thien-2-yl}methanol
CID 21986289
[3-[[4-(4-Methylphenyl)phenoxy]methyl]-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol
CID 21986418

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane?
The IUPAC name of 4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane (CID 166999930) is 4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane.
What is the SMILES notation for 4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane?
The canonical SMILES for 4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane is Fc1cc(-c2ccc(C3CCCC3)cc2)ccc1-c1ccc(OC2CCOCC2)s1.
What is the InChIKey of 4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane?
The InChIKey is MDLWCVBYAKSPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FO2S/c27-24-17-21(20-7-5-19(6-8-20)18-3-1-2-4-18)9-10-23(24)25-11-12-26(30-25)29-22-13-15-28-16-14-22/h5-12,17-18,22H,1-4,13-16H2.
What are the key properties of 4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane?
4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane has a molecular weight of 422.57 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane is sourced from PubChem (CID 166999930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).