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

C20H24INO2 — CID 71654898

IUPAC3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one
SMILESCC1CCCCC1Oc1cc(CCc2ccccc2)[nH]c(=O)c1I
InChIInChI=1S/C20H24INO2/c1-14-7-5-6-10-17(14)24-18-13-16(22-20(23)19(18)21)12-11-15-8-3-2-4-9-15/h2-4,8-9,13-14,17H,5-7,10-12H2,1H3,(H,22,23)
InChIKeyJOQSOUQPISXBMA-UHFFFAOYSA-N
MW437.32 g/mol
LogP4.72
Rot. Bonds5

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

3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one (PubChem CID 71654898) has the molecular formula C20H24INO2 and a molecular weight of 437.32 g/mol. Its IUPAC name is 3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one
PubChem CID71654898
Molecular FormulaC20H24INO2
Molecular Weight437.32 g/mol
Exact Mass437.09
IUPAC Name3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one
SMILESCC1CCCCC1Oc1cc(CCc2ccccc2)[nH]c(=O)c1I
InChIInChI=1S/C20H24INO2/c1-14-7-5-6-10-17(14)24-18-13-16(22-20(23)19(18)21)12-11-15-8-3-2-4-9-15/h2-4,8-9,13-14,17H,5-7,10-12H2,1H3,(H,22,23)
InChIKeyJOQSOUQPISXBMA-UHFFFAOYSA-N
XLogP4.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 54.72
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-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one?
The IUPAC name of 3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one (CID 71654898) is 3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one is CC1CCCCC1Oc1cc(CCc2ccccc2)[nH]c(=O)c1I.
What is the InChIKey of 3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one?
The InChIKey is JOQSOUQPISXBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24INO2/c1-14-7-5-6-10-17(14)24-18-13-16(22-20(23)19(18)21)12-11-15-8-3-2-4-9-15/h2-4,8-9,13-14,17H,5-7,10-12H2,1H3,(H,22,23).
What are the key properties of 3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one?
3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one has a molecular weight of 437.32 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one is sourced from PubChem (CID 71654898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).