6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine

C21H19NO — CID 155216387

IUPAC6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine
SMILESCc1cc(C)cc(-c2ccc3c(n2)OC(c2ccccc2)C3)c1
InChIInChI=1S/C21H19NO/c1-14-10-15(2)12-18(11-14)19-9-8-17-13-20(23-21(17)22-19)16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3
InChIKeyZWQVFCJVOWKVBE-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.04
Rot. Bonds2

About 6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine

6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine (PubChem CID 155216387) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine
PubChem CID155216387
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine
SMILESCc1cc(C)cc(-c2ccc3c(n2)OC(c2ccccc2)C3)c1
InChIInChI=1S/C21H19NO/c1-14-10-15(2)12-18(11-14)19-9-8-17-13-20(23-21(17)22-19)16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3
InChIKeyZWQVFCJVOWKVBE-UHFFFAOYSA-N
XLogP5.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine?
The IUPAC name of 6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine (CID 155216387) is 6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine?
The canonical SMILES for 6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine is Cc1cc(C)cc(-c2ccc3c(n2)OC(c2ccccc2)C3)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine?
The InChIKey is ZWQVFCJVOWKVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-14-10-15(2)12-18(11-14)19-9-8-17-13-20(23-21(17)22-19)16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3.
What are the key properties of 6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine?
6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine has a molecular weight of 301.39 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine is sourced from PubChem (CID 155216387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).