2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol

C18H17NOS — CID 81210035

IUPAC2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol
SMILESCc1ccccc1SCC(O)c1cccc2cccnc12
InChIInChI=1S/C18H17NOS/c1-13-6-2-3-10-17(13)21-12-16(20)15-9-4-7-14-8-5-11-19-18(14)15/h2-11,16,20H,12H2,1H3
InChIKeyWDLKGQAZKJYJTH-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.37
Rot. Bonds4

About 2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol

2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol (PubChem CID 81210035) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol
PubChem CID81210035
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol
SMILESCc1ccccc1SCC(O)c1cccc2cccnc12
InChIInChI=1S/C18H17NOS/c1-13-6-2-3-10-17(13)21-12-16(20)15-9-4-7-14-8-5-11-19-18(14)15/h2-11,16,20H,12H2,1H3
InChIKeyWDLKGQAZKJYJTH-UHFFFAOYSA-N
XLogP4.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61228127
5-methyl-1-quinolin-8-ylhexan-1-ol
CID 83158737
2-(4-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969152
(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol
CID 115826971
3-methoxy-1-quinolin-8-ylbutan-1-ol
CID 113391294
2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine
CID 81229140
4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol
CID 64566378
2-(2-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66144051
2,2-diethoxy-1-quinolin-8-ylethanol
CID 81220226
(4-methyl-3-pyridinyl)-quinolin-8-ylmethanol
CID 66273941
2-(1-methylimidazol-2-yl)-1-quinolin-8-ylethanol
CID 79744882
(2,4-dimethylphenyl)-quinolin-8-ylmethanol
CID 62875063

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol (CID 81210035) is 2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol is Cc1ccccc1SCC(O)c1cccc2cccnc12.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol?
The InChIKey is WDLKGQAZKJYJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-13-6-2-3-10-17(13)21-12-16(20)15-9-4-7-14-8-5-11-19-18(14)15/h2-11,16,20H,12H2,1H3.
What are the key properties of 2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol?
2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol has a molecular weight of 295.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol is sourced from PubChem (CID 81210035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).