[3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol

C16H15NO2S — CID 79158714

IUPAC[3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCc2csc3ccccc23)c(CO)n1
InChIInChI=1S/C16H15NO2S/c1-11-6-7-15(14(8-18)17-11)19-9-12-10-20-16-5-3-2-4-13(12)16/h2-7,10,18H,8-9H2,1H3
InChIKeyZLARFSMNWUJHJM-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.68
Rot. Bonds4

About [3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol

[3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol (PubChem CID 79158714) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is [3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol
PubChem CID79158714
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name[3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCc2csc3ccccc23)c(CO)n1
InChIInChI=1S/C16H15NO2S/c1-11-6-7-15(14(8-18)17-11)19-9-12-10-20-16-5-3-2-4-13(12)16/h2-7,10,18H,8-9H2,1H3
InChIKeyZLARFSMNWUJHJM-UHFFFAOYSA-N
XLogP3.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol?
The IUPAC name of [3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol (CID 79158714) is [3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol?
The canonical SMILES for [3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol is Cc1ccc(OCc2csc3ccccc23)c(CO)n1.
What is the InChIKey of [3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol?
The InChIKey is ZLARFSMNWUJHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-11-6-7-15(14(8-18)17-11)19-9-12-10-20-16-5-3-2-4-13(12)16/h2-7,10,18H,8-9H2,1H3.
What are the key properties of [3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol?
[3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol has a molecular weight of 285.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzothiophen-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 79158714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).