4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol

C24H27NO — CID 18795249

IUPAC4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol
SMILESCCCCCCCc1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cn1
InChIInChI=1S/C24H27NO/c1-2-3-4-5-6-7-23-15-12-22(18-25-23)21-10-8-19(9-11-21)20-13-16-24(26)17-14-20/h8-18,26H,2-7H2,1H3
InChIKeyGRCLFCXBNSOLQX-UHFFFAOYSA-N
MW345.49 g/mol
LogP6.63
Rot. Bonds8

About 4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol

4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol (PubChem CID 18795249) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol
PubChem CID18795249
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol
SMILESCCCCCCCc1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cn1
InChIInChI=1S/C24H27NO/c1-2-3-4-5-6-7-23-15-12-22(18-25-23)21-10-8-19(9-11-21)20-13-16-24(26)17-14-20/h8-18,26H,2-7H2,1H3
InChIKeyGRCLFCXBNSOLQX-UHFFFAOYSA-N
XLogP6.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-hexyl-5-(4-pentylphenyl)pyridine
CID 86160726
4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
CID 135584460
4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
CID 137177178
5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine
CID 139623761
2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine
CID 19867178
2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine
CID 18632504
5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-heptylpyridine
CID 19859113
5-decoxy-2-(6-nonyl-3-pyridinyl)pyrimidine
CID 139617180
4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol
CID 139618413
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine
CID 90299637
tris(4-octylphenol);propane
CID 90866185

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol?
The IUPAC name of 4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol (CID 18795249) is 4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol.
What is the SMILES notation for 4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol?
The canonical SMILES for 4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol is CCCCCCCc1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cn1.
What is the InChIKey of 4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol?
The InChIKey is GRCLFCXBNSOLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-2-3-4-5-6-7-23-15-12-22(18-25-23)21-10-8-19(9-11-21)20-13-16-24(26)17-14-20/h8-18,26H,2-7H2,1H3.
What are the key properties of 4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol?
4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol has a molecular weight of 345.49 g/mol, XLogP of 6.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol is sourced from PubChem (CID 18795249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).