5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one

C17H17NO2 — CID 65455581

IUPAC5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCCc3ccncc3)cccc21
InChIInChI=1S/C17H17NO2/c19-16-5-1-4-15-14(16)3-2-6-17(15)20-12-9-13-7-10-18-11-8-13/h2-3,6-8,10-11H,1,4-5,9,12H2
InChIKeyNJWXAPKBJGJABW-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.22
Rot. Bonds4

About 5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one

5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65455581) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65455581
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCCc3ccncc3)cccc21
InChIInChI=1S/C17H17NO2/c19-16-5-1-4-15-14(16)3-2-6-17(15)20-12-9-13-7-10-18-11-8-13/h2-3,6-8,10-11H,1,4-5,9,12H2
InChIKeyNJWXAPKBJGJABW-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 65455581) is 5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(OCCc3ccncc3)cccc21.
What is the InChIKey of 5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is NJWXAPKBJGJABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16-5-1-4-15-14(16)3-2-6-17(15)20-12-9-13-7-10-18-11-8-13/h2-3,6-8,10-11H,1,4-5,9,12H2.
What are the key properties of 5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one?
5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-4-ylethoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65455581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).