[6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol

C17H21NOS — CID 66994585

IUPAC[6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol
SMILESCCc1cccc(CC)c1-c1cc(SC)c(CO)cn1
InChIInChI=1S/C17H21NOS/c1-4-12-7-6-8-13(5-2)17(12)15-9-16(20-3)14(11-19)10-18-15/h6-10,19H,4-5,11H2,1-3H3
InChIKeyZNLOVTLEHQNOGC-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.09
Rot. Bonds5

About [6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol

[6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol (PubChem CID 66994585) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is [6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol
PubChem CID66994585
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name[6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol
SMILESCCc1cccc(CC)c1-c1cc(SC)c(CO)cn1
InChIInChI=1S/C17H21NOS/c1-4-12-7-6-8-13(5-2)17(12)15-9-16(20-3)14(11-19)10-18-15/h6-10,19H,4-5,11H2,1-3H3
InChIKeyZNLOVTLEHQNOGC-UHFFFAOYSA-N
XLogP4.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol?
The IUPAC name of [6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol (CID 66994585) is [6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol is CCc1cccc(CC)c1-c1cc(SC)c(CO)cn1.
What is the InChIKey of [6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol?
The InChIKey is ZNLOVTLEHQNOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-4-12-7-6-8-13(5-2)17(12)15-9-16(20-3)14(11-19)10-18-15/h6-10,19H,4-5,11H2,1-3H3.
What are the key properties of [6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol?
[6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol has a molecular weight of 287.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol is sourced from PubChem (CID 66994585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).