[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol

C17H20FNO2S — CID 167071196

IUPAC[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol
SMILESCc1nc(-c2sc(F)cc2CO)ccc1OC1CCCCC1
InChIInChI=1S/C17H20FNO2S/c1-11-15(21-13-5-3-2-4-6-13)8-7-14(19-11)17-12(10-20)9-16(18)22-17/h7-9,13,20H,2-6,10H2,1H3
InChIKeyAGUARJOBIBREPU-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.46
Rot. Bonds4

About [2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol

[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol (PubChem CID 167071196) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is [2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol.

Molecular Properties

Compound Name[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol
PubChem CID167071196
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC Name[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol
SMILESCc1nc(-c2sc(F)cc2CO)ccc1OC1CCCCC1
InChIInChI=1S/C17H20FNO2S/c1-11-15(21-13-5-3-2-4-6-13)8-7-14(19-11)17-12(10-20)9-16(18)22-17/h7-9,13,20H,2-6,10H2,1H3
InChIKeyAGUARJOBIBREPU-UHFFFAOYSA-N
XLogP4.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol?
The IUPAC name of [2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol (CID 167071196) is [2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol.
What is the SMILES notation for [2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol?
The canonical SMILES for [2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol is Cc1nc(-c2sc(F)cc2CO)ccc1OC1CCCCC1.
What is the InChIKey of [2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol?
The InChIKey is AGUARJOBIBREPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-11-15(21-13-5-3-2-4-6-13)8-7-14(19-11)17-12(10-20)9-16(18)22-17/h7-9,13,20H,2-6,10H2,1H3.
What are the key properties of [2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol?
[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol has a molecular weight of 321.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methanol is sourced from PubChem (CID 167071196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).