4-(5-nonyl-2-pyridinyl)phenol

C20H27NO — CID 135627063

IUPAC4-(5-nonyl-2-pyridinyl)phenol
SMILESCCCCCCCCCc1ccc(-c2ccc(O)cc2)nc1
InChIInChI=1S/C20H27NO/c1-2-3-4-5-6-7-8-9-17-10-15-20(21-16-17)18-11-13-19(22)14-12-18/h10-16,22H,2-9H2,1H3
InChIKeyIBEKNBZODJATGP-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.75
Rot. Bonds9

About 4-(5-nonyl-2-pyridinyl)phenol

4-(5-nonyl-2-pyridinyl)phenol (PubChem CID 135627063) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-(5-nonyl-2-pyridinyl)phenol.

Molecular Properties

Compound Name4-(5-nonyl-2-pyridinyl)phenol
PubChem CID135627063
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name4-(5-nonyl-2-pyridinyl)phenol
SMILESCCCCCCCCCc1ccc(-c2ccc(O)cc2)nc1
InChIInChI=1S/C20H27NO/c1-2-3-4-5-6-7-8-9-17-10-15-20(21-16-17)18-11-13-19(22)14-12-18/h10-16,22H,2-9H2,1H3
InChIKeyIBEKNBZODJATGP-UHFFFAOYSA-N
XLogP5.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.75
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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Related Compounds

5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol
CID 139618413
5-decyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139626597
5-decyl-2-[4-(5-heptyl-2-pyridinyl)phenyl]pyrimidine
CID 139621535
5-heptyl-2-[4-(5-nonyl-2-pyridinyl)phenyl]pyrimidine
CID 139621543
5-octyl-2-[4-(5-octyl-2-pyridinyl)phenyl]pyrimidine
CID 139621541
5-heptyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139621561
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482

Frequently Asked Questions

What is the IUPAC name of 4-(5-nonyl-2-pyridinyl)phenol?
The IUPAC name of 4-(5-nonyl-2-pyridinyl)phenol (CID 135627063) is 4-(5-nonyl-2-pyridinyl)phenol.
What is the SMILES notation for 4-(5-nonyl-2-pyridinyl)phenol?
The canonical SMILES for 4-(5-nonyl-2-pyridinyl)phenol is CCCCCCCCCc1ccc(-c2ccc(O)cc2)nc1.
What is the InChIKey of 4-(5-nonyl-2-pyridinyl)phenol?
The InChIKey is IBEKNBZODJATGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-2-3-4-5-6-7-8-9-17-10-15-20(21-16-17)18-11-13-19(22)14-12-18/h10-16,22H,2-9H2,1H3.
What are the key properties of 4-(5-nonyl-2-pyridinyl)phenol?
4-(5-nonyl-2-pyridinyl)phenol has a molecular weight of 297.44 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nonyl-2-pyridinyl)phenol is sourced from PubChem (CID 135627063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).