1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol

C17H19NO — CID 63771109

IUPAC1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
SMILESOC(CC1CCCc2ccccc21)c1ccccn1
InChIInChI=1S/C17H19NO/c19-17(16-10-3-4-11-18-16)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-4,6,9-11,14,17,19H,5,7-8,12H2
InChIKeyXVIDRWCDENSYOV-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.63
Rot. Bonds3

About 1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol

1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol (PubChem CID 63771109) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
PubChem CID63771109
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
SMILESOC(CC1CCCc2ccccc21)c1ccccn1
InChIInChI=1S/C17H19NO/c19-17(16-10-3-4-11-18-16)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-4,6,9-11,14,17,19H,5,7-8,12H2
InChIKeyXVIDRWCDENSYOV-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The IUPAC name of 1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol (CID 63771109) is 1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol.
What is the SMILES notation for 1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The canonical SMILES for 1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol is OC(CC1CCCc2ccccc21)c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The InChIKey is XVIDRWCDENSYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17(16-10-3-4-11-18-16)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-4,6,9-11,14,17,19H,5,7-8,12H2.
What are the key properties of 1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol has a molecular weight of 253.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol is sourced from PubChem (CID 63771109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).