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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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).