5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol

C21H19NO2 — CID 25033729

IUPAC5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol
SMILESCOc1ccc(-c2ccc3c(c2)CCC3(O)c2ccncc2)cc1
InChIInChI=1S/C21H19NO2/c1-24-19-5-2-15(3-6-19)16-4-7-20-17(14-16)8-11-21(20,23)18-9-12-22-13-10-18/h2-7,9-10,12-14,23H,8,11H2,1H3
InChIKeyNIYOFXPODJVAGK-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.94
Rot. Bonds3

About 5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol

5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol (PubChem CID 25033729) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol
PubChem CID25033729
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol
SMILESCOc1ccc(-c2ccc3c(c2)CCC3(O)c2ccncc2)cc1
InChIInChI=1S/C21H19NO2/c1-24-19-5-2-15(3-6-19)16-4-7-20-17(14-16)8-11-21(20,23)18-9-12-22-13-10-18/h2-7,9-10,12-14,23H,8,11H2,1H3
InChIKeyNIYOFXPODJVAGK-UHFFFAOYSA-N
XLogP3.94
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol?
The IUPAC name of 5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol (CID 25033729) is 5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol is COc1ccc(-c2ccc3c(c2)CCC3(O)c2ccncc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol?
The InChIKey is NIYOFXPODJVAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-24-19-5-2-15(3-6-19)16-4-7-20-17(14-16)8-11-21(20,23)18-9-12-22-13-10-18/h2-7,9-10,12-14,23H,8,11H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol?
5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol has a molecular weight of 317.39 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-pyridin-4-yl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 25033729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).