3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one

C19H16INO2 — CID 118723627

IUPAC3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(CCc2ccccc2)cc(Oc2ccccc2)c1I
InChIInChI=1S/C19H16INO2/c20-18-17(23-16-9-5-2-6-10-16)13-15(21-19(18)22)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,21,22)
InChIKeyKXJPMUMYSPAQOI-UHFFFAOYSA-N
MW417.25 g/mol
LogP4.56
Rot. Bonds5

About 3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one

3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one (PubChem CID 118723627) has the molecular formula C19H16INO2 and a molecular weight of 417.25 g/mol. Its IUPAC name is 3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one
PubChem CID118723627
Molecular FormulaC19H16INO2
Molecular Weight417.25 g/mol
Exact Mass417.02
IUPAC Name3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(CCc2ccccc2)cc(Oc2ccccc2)c1I
InChIInChI=1S/C19H16INO2/c20-18-17(23-16-9-5-2-6-10-16)13-15(21-19(18)22)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,21,22)
InChIKeyKXJPMUMYSPAQOI-UHFFFAOYSA-N
XLogP4.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one?
The IUPAC name of 3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one (CID 118723627) is 3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one is O=c1[nH]c(CCc2ccccc2)cc(Oc2ccccc2)c1I.
What is the InChIKey of 3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one?
The InChIKey is KXJPMUMYSPAQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16INO2/c20-18-17(23-16-9-5-2-6-10-16)13-15(21-19(18)22)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,21,22).
What are the key properties of 3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one?
3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one has a molecular weight of 417.25 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-phenoxy-6-(2-phenylethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118723627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).