4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one

C13H13NO3 — CID 66601090

IUPAC4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one
SMILESCOc1ccc(COc2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C13H13NO3/c1-16-11-4-2-10(3-5-11)9-17-12-6-7-14-13(15)8-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyHSGKNVSSOUTNOQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.96
Rot. Bonds4

About 4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one

4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one (PubChem CID 66601090) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one
PubChem CID66601090
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one
SMILESCOc1ccc(COc2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C13H13NO3/c1-16-11-4-2-10(3-5-11)9-17-12-6-7-14-13(15)8-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyHSGKNVSSOUTNOQ-UHFFFAOYSA-N
XLogP1.96
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one?
The IUPAC name of 4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one (CID 66601090) is 4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one is COc1ccc(COc2cc[nH]c(=O)c2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one?
The InChIKey is HSGKNVSSOUTNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-11-4-2-10(3-5-11)9-17-12-6-7-14-13(15)8-12/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of 4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one?
4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 66601090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).