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

C23H32FNO2 — CID 135819137

IUPAC5-fluoro-2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1O
InChIInChI=1S/C23H32FNO2/c1-6-7-8-9-18-21(17-11-10-16(24)12-20(17)27)19(13-26)23(15(4)5)25-22(18)14(2)3/h10-12,14-15,26-27H,6-9,13H2,1-5H3
InChIKeyTYKDSBXNYFQMEU-UHFFFAOYSA-N
MW373.51 g/mol
LogP6.07
Rot. Bonds8

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

5-fluoro-2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol (PubChem CID 135819137) has the molecular formula C23H32FNO2 and a molecular weight of 373.51 g/mol. Its IUPAC name is 5-fluoro-2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol
PubChem CID135819137
Molecular FormulaC23H32FNO2
Molecular Weight373.51 g/mol
Exact Mass373.24
IUPAC Name5-fluoro-2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1O
InChIInChI=1S/C23H32FNO2/c1-6-7-8-9-18-21(17-11-10-16(24)12-20(17)27)19(13-26)23(15(4)5)25-22(18)14(2)3/h10-12,14-15,26-27H,6-9,13H2,1-5H3
InChIKeyTYKDSBXNYFQMEU-UHFFFAOYSA-N
XLogP6.07
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.51
LogP ≤ 56.07
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-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
The IUPAC name of 5-fluoro-2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol (CID 135819137) is 5-fluoro-2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol.
What is the SMILES notation for 5-fluoro-2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
The canonical SMILES for 5-fluoro-2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol is CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
The InChIKey is TYKDSBXNYFQMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FNO2/c1-6-7-8-9-18-21(17-11-10-16(24)12-20(17)27)19(13-26)23(15(4)5)25-22(18)14(2)3/h10-12,14-15,26-27H,6-9,13H2,1-5H3.
What are the key properties of 5-fluoro-2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
5-fluoro-2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol has a molecular weight of 373.51 g/mol, XLogP of 6.07, 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-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol is sourced from PubChem (CID 135819137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).