[3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol

C18H19NOS — CID 116543760

IUPAC[3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol
SMILESCC(C)Cc1cccc(C(O)c2cnc3ccsc3c2)c1
InChIInChI=1S/C18H19NOS/c1-12(2)8-13-4-3-5-14(9-13)18(20)15-10-17-16(19-11-15)6-7-21-17/h3-7,9-12,18,20H,8H2,1-2H3
InChIKeyRSJLSSQBZXECMN-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.58
Rot. Bonds4

About [3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol

[3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol (PubChem CID 116543760) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol
PubChem CID116543760
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name[3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol
SMILESCC(C)Cc1cccc(C(O)c2cnc3ccsc3c2)c1
InChIInChI=1S/C18H19NOS/c1-12(2)8-13-4-3-5-14(9-13)18(20)15-10-17-16(19-11-15)6-7-21-17/h3-7,9-12,18,20H,8H2,1-2H3
InChIKeyRSJLSSQBZXECMN-UHFFFAOYSA-N
XLogP4.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol with MolForge

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Related Compounds

1-thieno[3,2-b]pyridin-6-ylethanol
CID 64830910
(4-propylphenyl)-thieno[3,2-b]pyridin-6-ylmethanol
CID 81143867
(3,5-difluorophenyl)-thieno[3,2-b]pyridin-6-ylmethanol
CID 81144116
(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838197
[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol
CID 116542846
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81143648
1-phenyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethanol
CID 64830222
2-(4-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81144222
thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol
CID 81154217
1-thieno[3,2-b]pyridin-6-yl-2-thiophen-3-ylethanol
CID 81144126

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol?
The IUPAC name of [3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol (CID 116543760) is [3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol is CC(C)Cc1cccc(C(O)c2cnc3ccsc3c2)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol?
The InChIKey is RSJLSSQBZXECMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-12(2)8-13-4-3-5-14(9-13)18(20)15-10-17-16(19-11-15)6-7-21-17/h3-7,9-12,18,20H,8H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol?
[3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol has a molecular weight of 297.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol is sourced from PubChem (CID 116543760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).