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

C16H15NO2 — CID 10400011

IUPAC5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2cccc(O)c2CCC1Cc1ccncc1
InChIInChI=1S/C16H15NO2/c18-15-3-1-2-14-13(15)5-4-12(16(14)19)10-11-6-8-17-9-7-11/h1-3,6-9,12,18H,4-5,10H2
InChIKeyDAOQXQRTKZYREH-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.78
Rot. Bonds2

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

5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10400011) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10400011
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2cccc(O)c2CCC1Cc1ccncc1
InChIInChI=1S/C16H15NO2/c18-15-3-1-2-14-13(15)5-4-12(16(14)19)10-11-6-8-17-9-7-11/h1-3,6-9,12,18H,4-5,10H2
InChIKeyDAOQXQRTKZYREH-UHFFFAOYSA-N
XLogP2.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one (CID 10400011) is 5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1c2cccc(O)c2CCC1Cc1ccncc1.
What is the InChIKey of 5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is DAOQXQRTKZYREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-15-3-1-2-14-13(15)5-4-12(16(14)19)10-11-6-8-17-9-7-11/h1-3,6-9,12,18H,4-5,10H2.
What are the key properties of 5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 253.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10400011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).