3-methyl-4-phenylmethoxy-1H-pyridin-2-one

C13H13NO2 — CID 22049916

IUPAC3-methyl-4-phenylmethoxy-1H-pyridin-2-one
SMILESCc1c(OCc2ccccc2)cc[nH]c1=O
InChIInChI=1S/C13H13NO2/c1-10-12(7-8-14-13(10)15)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15)
InChIKeyZCIPCHJTWHQTQK-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.26
Rot. Bonds3

About 3-methyl-4-phenylmethoxy-1H-pyridin-2-one

3-methyl-4-phenylmethoxy-1H-pyridin-2-one (PubChem CID 22049916) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-methyl-4-phenylmethoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-4-phenylmethoxy-1H-pyridin-2-one
PubChem CID22049916
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-methyl-4-phenylmethoxy-1H-pyridin-2-one
SMILESCc1c(OCc2ccccc2)cc[nH]c1=O
InChIInChI=1S/C13H13NO2/c1-10-12(7-8-14-13(10)15)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15)
InChIKeyZCIPCHJTWHQTQK-UHFFFAOYSA-N
XLogP2.26
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylmethoxy-1H-pyridin-2-one?
The IUPAC name of 3-methyl-4-phenylmethoxy-1H-pyridin-2-one (CID 22049916) is 3-methyl-4-phenylmethoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-4-phenylmethoxy-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-4-phenylmethoxy-1H-pyridin-2-one is Cc1c(OCc2ccccc2)cc[nH]c1=O.
What is the InChIKey of 3-methyl-4-phenylmethoxy-1H-pyridin-2-one?
The InChIKey is ZCIPCHJTWHQTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10-12(7-8-14-13(10)15)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of 3-methyl-4-phenylmethoxy-1H-pyridin-2-one?
3-methyl-4-phenylmethoxy-1H-pyridin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylmethoxy-1H-pyridin-2-one is sourced from PubChem (CID 22049916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).