(2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol

C21H29NO — CID 22005295

IUPAC(2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol
SMILESCCCCCc1c(CC)nc(CC)c(CO)c1-c1ccccc1
InChIInChI=1S/C21H29NO/c1-4-7-9-14-17-19(5-2)22-20(6-3)18(15-23)21(17)16-12-10-8-11-13-16/h8,10-13,23H,4-7,9,14-15H2,1-3H3
InChIKeyWQAOVPWEYNEDAT-UHFFFAOYSA-N
MW311.47 g/mol
LogP5.10
Rot. Bonds8

About (2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol

(2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol (PubChem CID 22005295) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is (2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol
PubChem CID22005295
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name(2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol
SMILESCCCCCc1c(CC)nc(CC)c(CO)c1-c1ccccc1
InChIInChI=1S/C21H29NO/c1-4-7-9-14-17-19(5-2)22-20(6-3)18(15-23)21(17)16-12-10-8-11-13-16/h8,10-13,23H,4-7,9,14-15H2,1-3H3
InChIKeyWQAOVPWEYNEDAT-UHFFFAOYSA-N
XLogP5.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol?
The IUPAC name of (2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol (CID 22005295) is (2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol.
What is the SMILES notation for (2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol?
The canonical SMILES for (2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol is CCCCCc1c(CC)nc(CC)c(CO)c1-c1ccccc1.
What is the InChIKey of (2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol?
The InChIKey is WQAOVPWEYNEDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-4-7-9-14-17-19(5-2)22-20(6-3)18(15-23)21(17)16-12-10-8-11-13-16/h8,10-13,23H,4-7,9,14-15H2,1-3H3.
What are the key properties of (2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol?
(2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol has a molecular weight of 311.47 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol is sourced from PubChem (CID 22005295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).