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

C14H13NO3 — CID 145314511

IUPAC2-acetyl-3-phenylmethoxy-1H-pyridin-4-one
SMILESCC(=O)c1[nH]ccc(=O)c1OCc1ccccc1
InChIInChI=1S/C14H13NO3/c1-10(16)13-14(12(17)7-8-15-13)18-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyCTEHVTWROYLTGJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.16
Rot. Bonds4

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

2-acetyl-3-phenylmethoxy-1H-pyridin-4-one (PubChem CID 145314511) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-acetyl-3-phenylmethoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-acetyl-3-phenylmethoxy-1H-pyridin-4-one
PubChem CID145314511
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-acetyl-3-phenylmethoxy-1H-pyridin-4-one
SMILESCC(=O)c1[nH]ccc(=O)c1OCc1ccccc1
InChIInChI=1S/C14H13NO3/c1-10(16)13-14(12(17)7-8-15-13)18-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyCTEHVTWROYLTGJ-UHFFFAOYSA-N
XLogP2.16
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-phenylmethoxy-1H-pyridin-4-one?
The IUPAC name of 2-acetyl-3-phenylmethoxy-1H-pyridin-4-one (CID 145314511) is 2-acetyl-3-phenylmethoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-acetyl-3-phenylmethoxy-1H-pyridin-4-one?
The canonical SMILES for 2-acetyl-3-phenylmethoxy-1H-pyridin-4-one is CC(=O)c1[nH]ccc(=O)c1OCc1ccccc1.
What is the InChIKey of 2-acetyl-3-phenylmethoxy-1H-pyridin-4-one?
The InChIKey is CTEHVTWROYLTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10(16)13-14(12(17)7-8-15-13)18-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of 2-acetyl-3-phenylmethoxy-1H-pyridin-4-one?
2-acetyl-3-phenylmethoxy-1H-pyridin-4-one has a molecular weight of 243.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-phenylmethoxy-1H-pyridin-4-one is sourced from PubChem (CID 145314511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).