4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine

C21H17NO — CID 25033656

IUPAC4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine
SMILESCOc1ccc(-c2ccc3c(c2)CC=C3c2ccncc2)cc1
InChIInChI=1S/C21H17NO/c1-23-19-6-2-15(3-7-19)17-4-8-21-18(14-17)5-9-20(21)16-10-12-22-13-11-16/h2-4,6-14H,5H2,1H3
InChIKeyYEHPQYGKQIAHAV-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.74
Rot. Bonds3

About 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine

4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine (PubChem CID 25033656) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine
PubChem CID25033656
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine
SMILESCOc1ccc(-c2ccc3c(c2)CC=C3c2ccncc2)cc1
InChIInChI=1S/C21H17NO/c1-23-19-6-2-15(3-7-19)17-4-8-21-18(14-17)5-9-20(21)16-10-12-22-13-11-16/h2-4,6-14H,5H2,1H3
InChIKeyYEHPQYGKQIAHAV-UHFFFAOYSA-N
XLogP4.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine?
The IUPAC name of 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine (CID 25033656) is 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine is COc1ccc(-c2ccc3c(c2)CC=C3c2ccncc2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine?
The InChIKey is YEHPQYGKQIAHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-23-19-6-2-15(3-7-19)17-4-8-21-18(14-17)5-9-20(21)16-10-12-22-13-11-16/h2-4,6-14H,5H2,1H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine?
4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine has a molecular weight of 299.37 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine is sourced from PubChem (CID 25033656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).