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

C23H33NO2 — CID 135819135

IUPAC2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1O
InChIInChI=1S/C23H33NO2/c1-6-7-8-12-18-21(17-11-9-10-13-20(17)26)19(14-25)23(16(4)5)24-22(18)15(2)3/h9-11,13,15-16,25-26H,6-8,12,14H2,1-5H3
InChIKeyYHYMRUYFZKGUMS-UHFFFAOYSA-N
MW355.52 g/mol
LogP5.93
Rot. Bonds8

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

2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol (PubChem CID 135819135) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol
PubChem CID135819135
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1O
InChIInChI=1S/C23H33NO2/c1-6-7-8-12-18-21(17-11-9-10-13-20(17)26)19(14-25)23(16(4)5)24-22(18)15(2)3/h9-11,13,15-16,25-26H,6-8,12,14H2,1-5H3
InChIKeyYHYMRUYFZKGUMS-UHFFFAOYSA-N
XLogP5.93
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.93
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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Related Compounds

4-[6-(4-Hydroxyphenyl)pyridin-2-yl]phenol
CID 647743
(+)-(1R)-1-[4-(4-fluorophenyl)-2,6-diisopropyl-5-propylpyridin-3-yl]ethanol
CID 9906120
(+)-2,6-Diisopropyl-3-(1-hydroxyethyl)-4-(4-fluorophenyl)-5-propylpyridine
CID 11186974
1-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-5-pentyl-pyridin-3-yl]-ethanol
CID 22004872
(2,6-Diisopropyl-5-pentyl-4-p-tolyl-pyridin-3-yl)-methanol
CID 22004877
[5-Ethyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22004918
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-pentylpyridine
CID 22004955
1-[4-(4-Fluoro-phenyl)-5-hexyl-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22004988
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-hexylpyridine
CID 22005015
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-heptylpyridine
CID 22005069
[5-Butyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22005107
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-propylpyridine
CID 22005204

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
The IUPAC name of 2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol (CID 135819135) is 2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol.
What is the SMILES notation for 2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
The canonical SMILES for 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-c1ccccc1O.
What is the InChIKey of 2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
The InChIKey is YHYMRUYFZKGUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-6-7-8-12-18-21(17-11-9-10-13-20(17)26)19(14-25)23(16(4)5)24-22(18)15(2)3/h9-11,13,15-16,25-26H,6-8,12,14H2,1-5H3.
What are the key properties of 2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol has a molecular weight of 355.52 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol is sourced from PubChem (CID 135819135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).