8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine

C20H17NO2 — CID 627452

IUPAC8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine
SMILESCOc1ccc2oc3cc(C)nc(-c4ccc(C)cc4)c3c2c1
InChIInChI=1S/C20H17NO2/c1-12-4-6-14(7-5-12)20-19-16-11-15(22-3)8-9-17(16)23-18(19)10-13(2)21-20/h4-11H,1-3H3
InChIKeyMIGZOZQJBBNWSJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP5.27
Rot. Bonds2

About 8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine

8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 627452) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine
PubChem CID627452
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine
SMILESCOc1ccc2oc3cc(C)nc(-c4ccc(C)cc4)c3c2c1
InChIInChI=1S/C20H17NO2/c1-12-4-6-14(7-5-12)20-19-16-11-15(22-3)8-9-17(16)23-18(19)10-13(2)21-20/h4-11H,1-3H3
InChIKeyMIGZOZQJBBNWSJ-UHFFFAOYSA-N
XLogP5.27
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.36
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine (CID 627452) is 8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine is COc1ccc2oc3cc(C)nc(-c4ccc(C)cc4)c3c2c1.
What is the InChIKey of 8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine?
The InChIKey is MIGZOZQJBBNWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-12-4-6-14(7-5-12)20-19-16-11-15(22-3)8-9-17(16)23-18(19)10-13(2)21-20/h4-11H,1-3H3.
What are the key properties of 8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine?
8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine has a molecular weight of 303.36 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-1-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 627452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).