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

C23H33NO2 — CID 135819145

IUPAC4-[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(O)cc1
InChIInChI=1S/C23H33NO2/c1-6-7-8-9-19-21(17-10-12-18(26)13-11-17)20(14-25)23(16(4)5)24-22(19)15(2)3/h10-13,15-16,25-26H,6-9,14H2,1-5H3
InChIKeyOBLCBGJMDNGCKU-UHFFFAOYSA-N
MW355.52 g/mol
LogP5.93
Rot. Bonds8

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

4-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol (PubChem CID 135819145) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol
PubChem CID135819145
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name4-[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(O)cc1
InChIInChI=1S/C23H33NO2/c1-6-7-8-9-19-21(17-10-12-18(26)13-11-17)20(14-25)23(16(4)5)24-22(19)15(2)3/h10-13,15-16,25-26H,6-9,14H2,1-5H3
InChIKeyOBLCBGJMDNGCKU-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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
The IUPAC name of 4-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol (CID 135819145) is 4-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol.
What is the SMILES notation for 4-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
The canonical SMILES for 4-[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(O)cc1.
What is the InChIKey of 4-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
The InChIKey is OBLCBGJMDNGCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-6-7-8-9-19-21(17-10-12-18(26)13-11-17)20(14-25)23(16(4)5)24-22(19)15(2)3/h10-13,15-16,25-26H,6-9,14H2,1-5H3.
What are the key properties of 4-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol?
4-[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 4-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]phenol is sourced from PubChem (CID 135819145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).