5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol

C24H30FNOS — CID 11689849

About 5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol

5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol (PubChem CID 11689849) has the molecular formula C24H30FNOS and a molecular weight of 399.58 g/mol. Its IUPAC name is 5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol.

Molecular Properties

• Compound Name: 5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol
• PubChem CID: 11689849
• Molecular Formula: C24H30FNOS
• Molecular Weight: 399.58 g/mol
• Exact Mass: 399.20
• IUPAC Name: 5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol
• SMILES: Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2s1)C(C)(C)C
• InChI: InChI=1S/C24H30FNOS/c1-16-7-8-18(25)12-20(16)23(5,6)15-24(27,22(2,3)4)13-19-11-17-9-10-26-14-21(17)28-19/h7-12,14,27H,13,15H2,1-6H3
• InChIKey: WOXQSUIBLIXNKE-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 33.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.58
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol?

The IUPAC name of 5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol (CID 11689849) is 5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol.

What is the SMILES notation for 5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol?

The canonical SMILES for 5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol is Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2s1)C(C)(C)C.

What is the InChIKey of 5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol?

The InChIKey is WOXQSUIBLIXNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNOS/c1-16-7-8-18(25)12-20(16)23(5,6)15-24(27,22(2,3)4)13-19-11-17-9-10-26-14-21(17)28-19/h7-12,14,27H,13,15H2,1-6H3.

What are the key properties of 5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol?

5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol has a molecular weight of 399.58 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(thieno[2,3-c]pyridin-2-ylmethyl)hexan-3-ol is sourced from PubChem (CID 11689849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).