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

C23H33NO — CID 22005335

IUPAC[5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1
InChIInChI=1S/C23H33NO/c1-6-7-9-14-19-21(18-12-10-8-11-13-18)20(15-25)23(17(4)5)24-22(19)16(2)3/h8,10-13,16-17,25H,6-7,9,14-15H2,1-5H3
InChIKeyJJSFGIZTXNWLSJ-UHFFFAOYSA-N
MW339.52 g/mol
LogP6.22
Rot. Bonds8

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

[5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22005335) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is [5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22005335
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name[5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1
InChIInChI=1S/C23H33NO/c1-6-7-9-14-19-21(18-12-10-8-11-13-18)20(15-25)23(17(4)5)24-22(19)16(2)3/h8,10-13,16-17,25H,6-7,9,14-15H2,1-5H3
InChIKeyJJSFGIZTXNWLSJ-UHFFFAOYSA-N
XLogP6.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22005335) is [5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1.
What is the InChIKey of [5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is JJSFGIZTXNWLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-6-7-9-14-19-21(18-12-10-8-11-13-18)20(15-25)23(17(4)5)24-22(19)16(2)3/h8,10-13,16-17,25H,6-7,9,14-15H2,1-5H3.
What are the key properties of [5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 339.52 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-pentyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22005335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).