4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol

C21H24FNOS — CID 11523301

IUPAC4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc2ccncc2s1
InChIInChI=1S/C21H24FNOS/c1-14-5-6-16(22)10-18(14)20(2,3)13-21(4,24)11-17-9-15-7-8-23-12-19(15)25-17/h5-10,12,24H,11,13H2,1-4H3
InChIKeyMVPAAJXNNQCLJA-UHFFFAOYSA-N
MW357.49 g/mol
LogP5.41
Rot. Bonds5

About 4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol

4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol (PubChem CID 11523301) has the molecular formula C21H24FNOS and a molecular weight of 357.49 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol
PubChem CID11523301
Molecular FormulaC21H24FNOS
Molecular Weight357.49 g/mol
Exact Mass357.16
IUPAC Name4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc2ccncc2s1
InChIInChI=1S/C21H24FNOS/c1-14-5-6-16(22)10-18(14)20(2,3)13-21(4,24)11-17-9-15-7-8-23-12-19(15)25-17/h5-10,12,24H,11,13H2,1-4H3
InChIKeyMVPAAJXNNQCLJA-UHFFFAOYSA-N
XLogP5.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol (CID 11523301) is 4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol is Cc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc2ccncc2s1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol?
The InChIKey is MVPAAJXNNQCLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNOS/c1-14-5-6-16(22)10-18(14)20(2,3)13-21(4,24)11-17-9-15-7-8-23-12-19(15)25-17/h5-10,12,24H,11,13H2,1-4H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol?
4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol has a molecular weight of 357.49 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-2,4-dimethyl-1-thieno[2,3-c]pyridin-2-ylpentan-2-ol is sourced from PubChem (CID 11523301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).