2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol

C21H28FNO2 — CID 135819157

IUPAC2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol
SMILESCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O
InChIInChI=1S/C21H28FNO2/c1-7-15-19(16-9-8-14(22)10-17(16)25)18(13(6)24)21(12(4)5)23-20(15)11(2)3/h8-13,24-25H,7H2,1-6H3
InChIKeyHMAMWDQIZIGXCH-UHFFFAOYSA-N
MW345.46 g/mol
LogP5.46
Rot. Bonds5

About 2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol

2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol (PubChem CID 135819157) has the molecular formula C21H28FNO2 and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol
PubChem CID135819157
Molecular FormulaC21H28FNO2
Molecular Weight345.46 g/mol
Exact Mass345.21
IUPAC Name2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol
SMILESCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O
InChIInChI=1S/C21H28FNO2/c1-7-15-19(16-9-8-14(22)10-17(16)25)18(13(6)24)21(12(4)5)23-20(15)11(2)3/h8-13,24-25H,7H2,1-6H3
InChIKeyHMAMWDQIZIGXCH-UHFFFAOYSA-N
XLogP5.46
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.46
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol?
The IUPAC name of 2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol (CID 135819157) is 2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol.
What is the SMILES notation for 2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol?
The canonical SMILES for 2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol is CCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O.
What is the InChIKey of 2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol?
The InChIKey is HMAMWDQIZIGXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO2/c1-7-15-19(16-9-8-14(22)10-17(16)25)18(13(6)24)21(12(4)5)23-20(15)11(2)3/h8-13,24-25H,7H2,1-6H3.
What are the key properties of 2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol?
2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol has a molecular weight of 345.46 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol is sourced from PubChem (CID 135819157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).