(6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

C15H17NOS — CID 115796780

IUPAC(6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2cc3c(s2)CCCC3)cn1
InChIInChI=1S/C15H17NOS/c1-10-6-7-12(9-16-10)15(17)14-8-11-4-2-3-5-13(11)18-14/h6-9,15,17H,2-5H2,1H3
InChIKeyWGEPYIMQXWPNFF-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.41
Rot. Bonds2

About (6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

(6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (PubChem CID 115796780) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
PubChem CID115796780
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name(6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2cc3c(s2)CCCC3)cn1
InChIInChI=1S/C15H17NOS/c1-10-6-7-12(9-16-10)15(17)14-8-11-4-2-3-5-13(11)18-14/h6-9,15,17H,2-5H2,1H3
InChIKeyWGEPYIMQXWPNFF-UHFFFAOYSA-N
XLogP3.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
CID 114980045
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propan-2-ylphenyl)methanol
CID 61083152
phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 15424085
(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 63426749
(4-fluoro-3-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 79747225
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854665
(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 65296586
(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
CID 61086819
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61089380
(4-chloro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115818050
4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,6-trimethylphenyl)methanol
CID 63426285

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (CID 115796780) is (6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is Cc1ccc(C(O)c2cc3c(s2)CCCC3)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The InChIKey is WGEPYIMQXWPNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10-6-7-12(9-16-10)15(17)14-8-11-4-2-3-5-13(11)18-14/h6-9,15,17H,2-5H2,1H3.
What are the key properties of (6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
(6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol has a molecular weight of 259.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 115796780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).