2-(3-phenylmethoxypropyl)pyridine

C15H17NO — CID 122632851

IUPAC2-(3-phenylmethoxypropyl)pyridine
SMILESc1ccc(COCCCc2ccccn2)cc1
InChIInChI=1S/C15H17NO/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16-15/h1-5,7-9,11H,6,10,12-13H2
InChIKeyDAPFZURYZQWIEB-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.23
Rot. Bonds6

About 2-(3-phenylmethoxypropyl)pyridine

2-(3-phenylmethoxypropyl)pyridine (PubChem CID 122632851) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(3-phenylmethoxypropyl)pyridine.

Molecular Properties

Compound Name2-(3-phenylmethoxypropyl)pyridine
PubChem CID122632851
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(3-phenylmethoxypropyl)pyridine
SMILESc1ccc(COCCCc2ccccn2)cc1
InChIInChI=1S/C15H17NO/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16-15/h1-5,7-9,11H,6,10,12-13H2
InChIKeyDAPFZURYZQWIEB-UHFFFAOYSA-N
XLogP3.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
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 2-(3-phenylmethoxypropyl)pyridine?
The IUPAC name of 2-(3-phenylmethoxypropyl)pyridine (CID 122632851) is 2-(3-phenylmethoxypropyl)pyridine.
What is the SMILES notation for 2-(3-phenylmethoxypropyl)pyridine?
The canonical SMILES for 2-(3-phenylmethoxypropyl)pyridine is c1ccc(COCCCc2ccccn2)cc1.
What is the InChIKey of 2-(3-phenylmethoxypropyl)pyridine?
The InChIKey is DAPFZURYZQWIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16-15/h1-5,7-9,11H,6,10,12-13H2.
What are the key properties of 2-(3-phenylmethoxypropyl)pyridine?
2-(3-phenylmethoxypropyl)pyridine has a molecular weight of 227.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxypropyl)pyridine is sourced from PubChem (CID 122632851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).