4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine

C25H27NO — CID 126576244

IUPAC4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine
SMILESCCc1ccc2c(c1)CC(CC(C)(C)c1ccc(-c3ccncc3)cc1)O2
InChIInChI=1S/C25H27NO/c1-4-18-5-10-24-21(15-18)16-23(27-24)17-25(2,3)22-8-6-19(7-9-22)20-11-13-26-14-12-20/h5-15,23H,4,16-17H2,1-3H3
InChIKeyZQSGYNWRPFUFIS-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.98
Rot. Bonds5

About 4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine

4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine (PubChem CID 126576244) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine
PubChem CID126576244
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine
SMILESCCc1ccc2c(c1)CC(CC(C)(C)c1ccc(-c3ccncc3)cc1)O2
InChIInChI=1S/C25H27NO/c1-4-18-5-10-24-21(15-18)16-23(27-24)17-25(2,3)22-8-6-19(7-9-22)20-11-13-26-14-12-20/h5-15,23H,4,16-17H2,1-3H3
InChIKeyZQSGYNWRPFUFIS-UHFFFAOYSA-N
XLogP5.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine?
The IUPAC name of 4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine (CID 126576244) is 4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine.
What is the SMILES notation for 4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine?
The canonical SMILES for 4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine is CCc1ccc2c(c1)CC(CC(C)(C)c1ccc(-c3ccncc3)cc1)O2.
What is the InChIKey of 4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine?
The InChIKey is ZQSGYNWRPFUFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-4-18-5-10-24-21(15-18)16-23(27-24)17-25(2,3)22-8-6-19(7-9-22)20-11-13-26-14-12-20/h5-15,23H,4,16-17H2,1-3H3.
What are the key properties of 4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine?
4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine has a molecular weight of 357.50 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(5-ethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]phenyl]pyridine is sourced from PubChem (CID 126576244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).