8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine

C22H21NO — CID 172534782

IUPAC8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3nc(-c4ccccc4)ccc32)c1C(C)(C)C
InChIInChI=1S/C22H21NO/c1-14-10-11-16-17-12-13-18(15-8-6-5-7-9-15)23-21(17)24-20(16)19(14)22(2,3)4/h5-13H,1-4H3
InChIKeyHEOKHLRZFLTNRE-UHFFFAOYSA-N
MW315.42 g/mol
LogP6.25
Rot. Bonds1

About 8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine

8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 172534782) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine
PubChem CID172534782
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3nc(-c4ccccc4)ccc32)c1C(C)(C)C
InChIInChI=1S/C22H21NO/c1-14-10-11-16-17-12-13-18(15-8-6-5-7-9-15)23-21(17)24-20(16)19(14)22(2,3)4/h5-13H,1-4H3
InChIKeyHEOKHLRZFLTNRE-UHFFFAOYSA-N
XLogP6.25
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 164798137
7-methyl-2-(4-methylphenyl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 164797464
8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 156670394
21-tert-butyl-20-methyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 146820800
8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827554
2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669508
5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155610853
8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 156667463
2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155610894
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
2-(4,6-ditert-butylpyrimidin-2-yl)-7-methyl-8-(2-methylisoquinolin-2-ium-3-yl)-[1]benzofuro[2,3-b]pyridine
CID 176787806
[4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 162776695

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine (CID 172534782) is 8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3nc(-c4ccccc4)ccc32)c1C(C)(C)C.
What is the InChIKey of 8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is HEOKHLRZFLTNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-14-10-11-16-17-12-13-18(15-8-6-5-7-9-15)23-21(17)24-20(16)19(14)22(2,3)4/h5-13H,1-4H3.
What are the key properties of 8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine?
8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 315.42 g/mol, XLogP of 6.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 172534782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).