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

C24H34FNO2 — CID 135819133

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 Name: 5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol
• PubChem CID: 135819133
• Molecular Formula: C24H34FNO2
• Molecular Weight: 387.54 g/mol
• Exact Mass: 387.26
• IUPAC Name: 5-fluoro-2-[3-(1-hydroxyethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol
• SMILES: CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O
• InChI: 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
• InChIKey: XCYKIBDRZZPFII-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 53.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.54
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).