4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine

C21H25NO3 — CID 21221195

IUPAC4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine
SMILESCOc1cnc(COCc2ccccc2)cc1OC1CC2CCC1C2
InChIInChI=1S/C21H25NO3/c1-23-21-12-22-18(14-24-13-15-5-3-2-4-6-15)11-20(21)25-19-10-16-7-8-17(19)9-16/h2-6,11-12,16-17,19H,7-10,13-14H2,1H3
InChIKeyIJIOJKJYLRGXQX-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.37
Rot. Bonds7

About 4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine

4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine (PubChem CID 21221195) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine
PubChem CID21221195
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine
SMILESCOc1cnc(COCc2ccccc2)cc1OC1CC2CCC1C2
InChIInChI=1S/C21H25NO3/c1-23-21-12-22-18(14-24-13-15-5-3-2-4-6-15)11-20(21)25-19-10-16-7-8-17(19)9-16/h2-6,11-12,16-17,19H,7-10,13-14H2,1H3
InChIKeyIJIOJKJYLRGXQX-UHFFFAOYSA-N
XLogP4.37
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine (CID 21221195) is 4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine is COc1cnc(COCc2ccccc2)cc1OC1CC2CCC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine?
The InChIKey is IJIOJKJYLRGXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-23-21-12-22-18(14-24-13-15-5-3-2-4-6-15)11-20(21)25-19-10-16-7-8-17(19)9-16/h2-6,11-12,16-17,19H,7-10,13-14H2,1H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine?
4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine has a molecular weight of 339.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyloxy)-5-methoxy-2-(phenylmethoxymethyl)pyridine is sourced from PubChem (CID 21221195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).