4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol

C16H17NO2 — CID 63090709

IUPAC4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(OCCc3ccccn3)cccc21
InChIInChI=1S/C16H17NO2/c18-15-8-7-14-13(15)5-3-6-16(14)19-11-9-12-4-1-2-10-17-12/h1-6,10,15,18H,7-9,11H2
InChIKeyDJKYCGZLLHEPHZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.68
Rot. Bonds4

About 4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol

4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 63090709) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID63090709
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(OCCc3ccccn3)cccc21
InChIInChI=1S/C16H17NO2/c18-15-8-7-14-13(15)5-3-6-16(14)19-11-9-12-4-1-2-10-17-12/h1-6,10,15,18H,7-9,11H2
InChIKeyDJKYCGZLLHEPHZ-UHFFFAOYSA-N
XLogP2.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol (CID 63090709) is 4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol is OC1CCc2c(OCCc3ccccn3)cccc21.
What is the InChIKey of 4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is DJKYCGZLLHEPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15-8-7-14-13(15)5-3-6-16(14)19-11-9-12-4-1-2-10-17-12/h1-6,10,15,18H,7-9,11H2.
What are the key properties of 4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol?
4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 255.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 63090709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).