5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol

C24H34FNO2 — CID 135819133

IUPAC5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O
InChIInChI=1S/C24H34FNO2/c1-7-8-9-10-19-22(18-12-11-17(25)13-20(18)28)21(16(6)27)24(15(4)5)26-23(19)14(2)3/h11-16,27-28H,7-10H2,1-6H3
InChIKeyXCYKIBDRZZPFII-UHFFFAOYSA-N
MW387.54 g/mol
LogP6.63
Rot. Bonds8

About 5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol

5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol (PubChem CID 135819133) has the molecular formula C24H34FNO2 and a molecular weight of 387.54 g/mol. Its IUPAC name is 5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol
PubChem CID135819133
Molecular FormulaC24H34FNO2
Molecular Weight387.54 g/mol
Exact Mass387.26
IUPAC Name5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O
InChIInChI=1S/C24H34FNO2/c1-7-8-9-10-19-22(18-12-11-17(25)13-20(18)28)21(16(6)27)24(15(4)5)26-23(19)14(2)3/h11-16,27-28H,7-10H2,1-6H3
InChIKeyXCYKIBDRZZPFII-UHFFFAOYSA-N
XLogP6.63
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.54
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
The IUPAC name of 5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol (CID 135819133) is 5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol.
What is the SMILES notation for 5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
The canonical SMILES for 5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol is CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
The InChIKey is XCYKIBDRZZPFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO2/c1-7-8-9-10-19-22(18-12-11-17(25)13-20(18)28)21(16(6)27)24(15(4)5)26-23(19)14(2)3/h11-16,27-28H,7-10H2,1-6H3.
What are the key properties of 5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol has a molecular weight of 387.54 g/mol, XLogP of 6.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol is sourced from PubChem (CID 135819133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).