2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol

C18H17NOS — CID 81209921

IUPAC2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol
SMILESCc1cccc(SCC(O)c2cccc3ncccc23)c1
InChIInChI=1S/C18H17NOS/c1-13-5-2-6-14(11-13)21-12-18(20)16-7-3-9-17-15(16)8-4-10-19-17/h2-11,18,20H,12H2,1H3
InChIKeyNMBOXKFAVCWJHQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.37
Rot. Bonds4

About 2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol

2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol (PubChem CID 81209921) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol
PubChem CID81209921
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol
SMILESCc1cccc(SCC(O)c2cccc3ncccc23)c1
InChIInChI=1S/C18H17NOS/c1-13-5-2-6-14(11-13)21-12-18(20)16-7-3-9-17-15(16)8-4-10-19-17/h2-11,18,20H,12H2,1H3
InChIKeyNMBOXKFAVCWJHQ-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-isoquinolin-5-yl-2-(3-methylphenyl)sulfanylethanol
CID 66087167
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
3-methoxy-1-quinolin-5-ylpropan-1-ol
CID 81220357
N-methyl-1-(3-methylphenyl)-1-quinolin-5-ylmethanamine
CID 81220394
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
CID 102831390
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
(1R)-1-quinolin-5-ylethanol
CID 86326294
(5-methyl-2-pyridinyl)-quinolin-5-ylmethanol
CID 81318739
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411
(2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol
CID 115826245
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol
CID 103027648
2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66086004

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol?
The IUPAC name of 2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol (CID 81209921) is 2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol.
What is the SMILES notation for 2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol?
The canonical SMILES for 2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol is Cc1cccc(SCC(O)c2cccc3ncccc23)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol?
The InChIKey is NMBOXKFAVCWJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-13-5-2-6-14(11-13)21-12-18(20)16-7-3-9-17-15(16)8-4-10-19-17/h2-11,18,20H,12H2,1H3.
What are the key properties of 2-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol?
2-(3-methylphenyl)sulfanyl-1-quinolin-5-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-(3-methylphenyl)sulfanyl-1-quinolin-5-ylethanol is sourced from PubChem (CID 81209921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).