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

C23H32FNO2 — CID 135819143

IUPAC2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol
SMILESCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O
InChIInChI=1S/C23H32FNO2/c1-7-8-9-18-21(17-11-10-16(24)12-19(17)27)20(15(6)26)23(14(4)5)25-22(18)13(2)3/h10-15,26-27H,7-9H2,1-6H3
InChIKeyHLIMDQKMLIPYJE-UHFFFAOYSA-N
MW373.51 g/mol
LogP6.24
Rot. Bonds7

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

2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol (PubChem CID 135819143) has the molecular formula C23H32FNO2 and a molecular weight of 373.51 g/mol. Its IUPAC name is 2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol
PubChem CID135819143
Molecular FormulaC23H32FNO2
Molecular Weight373.51 g/mol
Exact Mass373.24
IUPAC Name2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol
SMILESCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O
InChIInChI=1S/C23H32FNO2/c1-7-8-9-18-21(17-11-10-16(24)12-19(17)27)20(15(6)26)23(14(4)5)25-22(18)13(2)3/h10-15,26-27H,7-9H2,1-6H3
InChIKeyHLIMDQKMLIPYJE-UHFFFAOYSA-N
XLogP6.24
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.51
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 9906120
CID 9906120
CID 11186974
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CID 22004872
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CID 22004877
CID 22004877
CID 22004918
CID 22004918
CID 22004955
CID 22004955
CID 22004988
CID 22004988
CID 22005015
CID 22005015
CID 22005069
CID 22005069
CID 22005107
CID 22005107
CID 22005204
CID 22005204
CID 22005250
CID 22005250

Frequently Asked Questions

What is the IUPAC name of 2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol?
The IUPAC name of 2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol (CID 135819143) is 2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol.
What is the SMILES notation for 2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol?
The canonical SMILES for 2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol is CCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O.
What is the InChIKey of 2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol?
The InChIKey is HLIMDQKMLIPYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FNO2/c1-7-8-9-18-21(17-11-10-16(24)12-19(17)27)20(15(6)26)23(14(4)5)25-22(18)13(2)3/h10-15,26-27H,7-9H2,1-6H3.
What are the key properties of 2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol?
2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol has a molecular weight of 373.51 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-butyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol is sourced from PubChem (CID 135819143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).