6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one

C17H17NO2 — CID 22324870

IUPAC6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c1ccc(O)c2CCc1ccccn1
InChIInChI=1S/C17H17NO2/c19-16-6-3-5-13-14(17(20)10-9-15(13)16)8-7-12-4-1-2-11-18-12/h1-2,4,9-11,20H,3,5-8H2
InChIKeyLIIIRYAYRGGDKP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.09
Rot. Bonds3

About 6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one

6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 22324870) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID22324870
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c1ccc(O)c2CCc1ccccn1
InChIInChI=1S/C17H17NO2/c19-16-6-3-5-13-14(17(20)10-9-15(13)16)8-7-12-4-1-2-11-18-12/h1-2,4,9-11,20H,3,5-8H2
InChIKeyLIIIRYAYRGGDKP-UHFFFAOYSA-N
XLogP3.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one (CID 22324870) is 6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c1ccc(O)c2CCc1ccccn1.
What is the InChIKey of 6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LIIIRYAYRGGDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16-6-3-5-13-14(17(20)10-9-15(13)16)8-7-12-4-1-2-11-18-12/h1-2,4,9-11,20H,3,5-8H2.
What are the key properties of 6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?
6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 22324870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).