4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol

C21H24FNO2 — CID 11631492

IUPAC4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc2ccncc2o1
InChIInChI=1S/C21H24FNO2/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
InChIKeyIJHGAALYVHDVRO-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.94
Rot. Bonds5

About 4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol

4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol (PubChem CID 11631492) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol
PubChem CID11631492
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc2ccncc2o1
InChIInChI=1S/C21H24FNO2/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
InChIKeyIJHGAALYVHDVRO-UHFFFAOYSA-N
XLogP4.94
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.94
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)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol (CID 11631492) is 4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol is Cc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc2ccncc2o1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol?
The InChIKey is IJHGAALYVHDVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/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)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol?
4-(5-fluoro-2-methylphenyl)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol has a molecular weight of 341.43 g/mol, XLogP of 4.94, 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)-1-furo[2,3-c]pyridin-2-yl-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 11631492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).