5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine

C21H21NO — CID 155216570

IUPAC5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine
SMILESCc1cc(C)cc(C2=CC=C3OC(c4ccccc4)CC3N2)c1
InChIInChI=1S/C21H21NO/c1-14-10-15(2)12-17(11-14)18-8-9-20-19(22-18)13-21(23-20)16-6-4-3-5-7-16/h3-12,19,21-22H,13H2,1-2H3
InChIKeyMMBDYUMHCYHKRL-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.66
Rot. Bonds2

About 5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine

5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine (PubChem CID 155216570) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine
PubChem CID155216570
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine
SMILESCc1cc(C)cc(C2=CC=C3OC(c4ccccc4)CC3N2)c1
InChIInChI=1S/C21H21NO/c1-14-10-15(2)12-17(11-14)18-8-9-20-19(22-18)13-21(23-20)16-6-4-3-5-7-16/h3-12,19,21-22H,13H2,1-2H3
InChIKeyMMBDYUMHCYHKRL-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3,5-dimethylphenyl)-2-phenyl-2,3-dihydrofuro[2,3-b]pyridine
CID 155216387
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466
(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one
CID 127256657
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
2-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-imidazole
CID 10900623
(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene
CID 100969448
ethane;2-phenyloxirane
CID 54171856
ethane;(2S)-2-phenylaziridine
CID 145185749
5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
CID 10015092
3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099116
5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929
(4R,6S)-6-methyl-4-phenyl-1,3-oxazinan-2-one
CID 131000813

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine?
The IUPAC name of 5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine (CID 155216570) is 5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine?
The canonical SMILES for 5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine is Cc1cc(C)cc(C2=CC=C3OC(c4ccccc4)CC3N2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine?
The InChIKey is MMBDYUMHCYHKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-14-10-15(2)12-17(11-14)18-8-9-20-19(22-18)13-21(23-20)16-6-4-3-5-7-16/h3-12,19,21-22H,13H2,1-2H3.
What are the key properties of 5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine?
5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine has a molecular weight of 303.41 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-2-phenyl-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine is sourced from PubChem (CID 155216570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).