4-Hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one

C12H11NO3 — CID 54734085

IUPAC4-hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one
SMILESC1=CC(=CC=C1CN2C=CC(=CC2=O)O)O
InChIInChI=1S/C12H11NO3/c14-10-3-1-9(2-4-10)8-13-6-5-11(15)7-12(13)16/h1-7,14-15H,8H2
InChIKeyYKCLTQWPDQIONW-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.90
Rot. Bonds2

About 4-Hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one

4-Hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one (PubChem CID 54734085) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-Hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one
PubChem CID54734085
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one
SMILESC1=CC(=CC=C1CN2C=CC(=CC2=O)O)O
InChIInChI=1S/C12H11NO3/c14-10-3-1-9(2-4-10)8-13-6-5-11(15)7-12(13)16/h1-7,14-15H,8H2
InChIKeyYKCLTQWPDQIONW-UHFFFAOYSA-N
XLogP0.90
TPSA60.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity327

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2E)-3-(4-Hydroxyphenyl)-1-(1-pyrrolidinyl)-2-propen-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-Hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one?
The IUPAC name of 4-Hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one (CID 54734085) is 4-hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-Hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-Hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one is C1=CC(=CC=C1CN2C=CC(=CC2=O)O)O.
What is the InChIKey of 4-Hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one?
The InChIKey is YKCLTQWPDQIONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-10-3-1-9(2-4-10)8-13-6-5-11(15)7-12(13)16/h1-7,14-15H,8H2.
What are the key properties of 4-Hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one?
4-Hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one has a molecular weight of 217.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Hydroxy-1-[(4-hydroxyphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 54734085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).