2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide

C16H18BrNO2 — CID 14500433

IUPAC2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide
SMILESBr.OC(COc1cccc2c1CCC2)c1ccccn1
InChIInChI=1S/C16H17NO2.BrH/c18-15(14-8-1-2-10-17-14)11-19-16-9-4-6-12-5-3-7-13(12)16;/h1-2,4,6,8-10,15,18H,3,5,7,11H2;1H
InChIKeyHNOSDHZCFAIZDD-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.26
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide

2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide (PubChem CID 14500433) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide
PubChem CID14500433
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide
SMILESBr.OC(COc1cccc2c1CCC2)c1ccccn1
InChIInChI=1S/C16H17NO2.BrH/c18-15(14-8-1-2-10-17-14)11-19-16-9-4-6-12-5-3-7-13(12)16;/h1-2,4,6,8-10,15,18H,3,5,7,11H2;1H
InChIKeyHNOSDHZCFAIZDD-UHFFFAOYSA-N
XLogP3.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol
CID 14500432
2-(2-bromophenoxy)-1-pyridin-2-ylethanol
CID 117241374
1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol
CID 12912515
1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol
CID 109416099
1-(2,3-dihydro-1H-inden-4-yloxy)-3-morpholin-4-ylpropan-2-ol
CID 3051477
4-[2-(hydroxymethyl)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 70185548
1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63771109
(1R)-2-(3-methylphenoxy)-1-pyridin-2-ylethanol
CID 129362885
5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 117068983
2-chloro-1-pyridin-2-ylethanol
CID 22145518
1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol
CID 112508761
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide (CID 14500433) is 2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide is Br.OC(COc1cccc2c1CCC2)c1ccccn1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide?
The InChIKey is HNOSDHZCFAIZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.BrH/c18-15(14-8-1-2-10-17-14)11-19-16-9-4-6-12-5-3-7-13(12)16;/h1-2,4,6,8-10,15,18H,3,5,7,11H2;1H.
What are the key properties of 2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide?
2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide has a molecular weight of 336.23 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide is sourced from PubChem (CID 14500433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).