2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol

C19H25NO2 — CID 14349154

IUPAC2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol
SMILESCCCCCC(C)(O)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C19H25NO2/c1-3-4-6-12-19(2,21)16-9-8-11-18(14-16)22-15-17-10-5-7-13-20-17/h5,7-11,13-14,21H,3-4,6,12,15H2,1-2H3
InChIKeyJVLDBSMJDUITJV-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.45
Rot. Bonds8

About 2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol

2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol (PubChem CID 14349154) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol.

Molecular Properties

Compound Name2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol
PubChem CID14349154
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol
SMILESCCCCCC(C)(O)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C19H25NO2/c1-3-4-6-12-19(2,21)16-9-8-11-18(14-16)22-15-17-10-5-7-13-20-17/h5,7-11,13-14,21H,3-4,6,12,15H2,1-2H3
InChIKeyJVLDBSMJDUITJV-UHFFFAOYSA-N
XLogP4.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
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 2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol?
The IUPAC name of 2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol (CID 14349154) is 2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol.
What is the SMILES notation for 2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol?
The canonical SMILES for 2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol is CCCCCC(C)(O)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol?
The InChIKey is JVLDBSMJDUITJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-4-6-12-19(2,21)16-9-8-11-18(14-16)22-15-17-10-5-7-13-20-17/h5,7-11,13-14,21H,3-4,6,12,15H2,1-2H3.
What are the key properties of 2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol?
2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol is sourced from PubChem (CID 14349154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).