7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one

C16H15NO2 — CID 18973211

IUPAC7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(OCc3ccncc3)cc21
InChIInChI=1S/C16H15NO2/c18-16-3-1-2-13-4-5-14(10-15(13)16)19-11-12-6-8-17-9-7-12/h4-10H,1-3,11H2
InChIKeySVWNQMNFMHJVSY-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.18
Rot. Bonds3

About 7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one

7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 18973211) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID18973211
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(OCc3ccncc3)cc21
InChIInChI=1S/C16H15NO2/c18-16-3-1-2-13-4-5-14(10-15(13)16)19-11-12-6-8-17-9-7-12/h4-10H,1-3,11H2
InChIKeySVWNQMNFMHJVSY-UHFFFAOYSA-N
XLogP3.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 18973211) is 7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2ccc(OCc3ccncc3)cc21.
What is the InChIKey of 7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is SVWNQMNFMHJVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16-3-1-2-13-4-5-14(10-15(13)16)19-11-12-6-8-17-9-7-12/h4-10H,1-3,11H2.
What are the key properties of 7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 253.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 18973211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).