[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone

C13H16INO3 — CID 102932983

IUPAC[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone
SMILESCC1CN(C(=O)c2cccc(I)c2)CC(CO)O1
InChIInChI=1S/C13H16INO3/c1-9-6-15(7-12(8-16)18-9)13(17)10-3-2-4-11(14)5-10/h2-5,9,12,16H,6-8H2,1H3
InChIKeyXNRGXGLIXFKTQI-UHFFFAOYSA-N
MW361.18 g/mol
LogP1.51
Rot. Bonds2

About [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone (PubChem CID 102932983) has the molecular formula C13H16INO3 and a molecular weight of 361.18 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone
PubChem CID102932983
Molecular FormulaC13H16INO3
Molecular Weight361.18 g/mol
Exact Mass361.02
IUPAC Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone
SMILESCC1CN(C(=O)c2cccc(I)c2)CC(CO)O1
InChIInChI=1S/C13H16INO3/c1-9-6-15(7-12(8-16)18-9)13(17)10-3-2-4-11(14)5-10/h2-5,9,12,16H,6-8H2,1H3
InChIKeyXNRGXGLIXFKTQI-UHFFFAOYSA-N
XLogP1.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(methylsulfanylmethyl)phenyl]methanone
CID 102934385
(3-hydroxy-4-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978661
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-nitrophenyl)methanone
CID 102934573
(2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 103037651
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 114777024
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 102936157
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102932485
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601
(3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371264
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone?
The IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone (CID 102932983) is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone is CC1CN(C(=O)c2cccc(I)c2)CC(CO)O1.
What is the InChIKey of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone?
The InChIKey is XNRGXGLIXFKTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO3/c1-9-6-15(7-12(8-16)18-9)13(17)10-3-2-4-11(14)5-10/h2-5,9,12,16H,6-8H2,1H3.
What are the key properties of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone?
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone has a molecular weight of 361.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone is sourced from PubChem (CID 102932983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).