5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine

C18H19NO — CID 153463361

IUPAC5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine
SMILESCCC(C)c1cc(C)cc(-c2ccc3occc3n2)c1
InChIInChI=1S/C18H19NO/c1-4-13(3)14-9-12(2)10-15(11-14)16-5-6-18-17(19-16)7-8-20-18/h5-11,13H,4H2,1-3H3
InChIKeyQXOMNUZFQDVDHQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP5.32
Rot. Bonds3

About 5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine

5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine (PubChem CID 153463361) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine
PubChem CID153463361
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine
SMILESCCC(C)c1cc(C)cc(-c2ccc3occc3n2)c1
InChIInChI=1S/C18H19NO/c1-4-13(3)14-9-12(2)10-15(11-14)16-5-6-18-17(19-16)7-8-20-18/h5-11,13H,4H2,1-3H3
InChIKeyQXOMNUZFQDVDHQ-UHFFFAOYSA-N
XLogP5.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.36
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine
CID 153463540
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
6-(3-methyl-5-propan-2-ylphenyl)furo[3,2-c]pyridine
CID 153463523
2-(3-butan-2-yl-5-ethylphenyl)quinoline
CID 153463437
7-butan-2-yl-1-(3,5-dimethylphenyl)isoquinoline
CID 139546343
5-ethylfuro[3,2-b]pyridine
CID 89143836
ethane;5-methylfuro[3,2-b]pyridine
CID 143292377
2-(3,5-dimethylphenyl)-6,7-diethylquinoline
CID 140607988
5-(3,5-dimethylphenyl)-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine
CID 155628675
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine
CID 59552748
N-ethylfuro[3,2-b]pyridin-5-amine
CID 118178318
6-butan-2-yl-1-(3-tert-butyl-5-methylphenyl)isoquinoline
CID 153437049

Frequently Asked Questions

What is the IUPAC name of 5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine?
The IUPAC name of 5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine (CID 153463361) is 5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine is CCC(C)c1cc(C)cc(-c2ccc3occc3n2)c1.
What is the InChIKey of 5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine?
The InChIKey is QXOMNUZFQDVDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-4-13(3)14-9-12(2)10-15(11-14)16-5-6-18-17(19-16)7-8-20-18/h5-11,13H,4H2,1-3H3.
What are the key properties of 5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine?
5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine has a molecular weight of 265.36 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 153463361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).