3-(6-phenylmethoxynaphthalen-2-yl)pyridine

C22H17NO — CID 11702331

IUPAC3-(6-phenylmethoxynaphthalen-2-yl)pyridine
SMILESc1ccc(COc2ccc3cc(-c4cccnc4)ccc3c2)cc1
InChIInChI=1S/C22H17NO/c1-2-5-17(6-3-1)16-24-22-11-10-18-13-19(8-9-20(18)14-22)21-7-4-12-23-15-21/h1-15H,16H2
InChIKeyJZYVYQOWONYMBP-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.48
Rot. Bonds4

About 3-(6-phenylmethoxynaphthalen-2-yl)pyridine

3-(6-phenylmethoxynaphthalen-2-yl)pyridine (PubChem CID 11702331) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(6-phenylmethoxynaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(6-phenylmethoxynaphthalen-2-yl)pyridine
PubChem CID11702331
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name3-(6-phenylmethoxynaphthalen-2-yl)pyridine
SMILESc1ccc(COc2ccc3cc(-c4cccnc4)ccc3c2)cc1
InChIInChI=1S/C22H17NO/c1-2-5-17(6-3-1)16-24-22-11-10-18-13-19(8-9-20(18)14-22)21-7-4-12-23-15-21/h1-15H,16H2
InChIKeyJZYVYQOWONYMBP-UHFFFAOYSA-N
XLogP5.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylmethoxynaphthalen-2-yl)pyridine?
The IUPAC name of 3-(6-phenylmethoxynaphthalen-2-yl)pyridine (CID 11702331) is 3-(6-phenylmethoxynaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(6-phenylmethoxynaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(6-phenylmethoxynaphthalen-2-yl)pyridine is c1ccc(COc2ccc3cc(-c4cccnc4)ccc3c2)cc1.
What is the InChIKey of 3-(6-phenylmethoxynaphthalen-2-yl)pyridine?
The InChIKey is JZYVYQOWONYMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-2-5-17(6-3-1)16-24-22-11-10-18-13-19(8-9-20(18)14-22)21-7-4-12-23-15-21/h1-15H,16H2.
What are the key properties of 3-(6-phenylmethoxynaphthalen-2-yl)pyridine?
3-(6-phenylmethoxynaphthalen-2-yl)pyridine has a molecular weight of 311.38 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylmethoxynaphthalen-2-yl)pyridine is sourced from PubChem (CID 11702331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).