(2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C13H16INO4 — CID 103037651

IUPAC(2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2cc(I)ccc2O)CC(CO)O1
InChIInChI=1S/C13H16INO4/c1-8-5-15(6-10(7-16)19-8)13(18)11-4-9(14)2-3-12(11)17/h2-4,8,10,16-17H,5-7H2,1H3
InChIKeyIHPKKWJOPNAAEB-UHFFFAOYSA-N
MW377.18 g/mol
LogP1.22
Rot. Bonds2

About (2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

(2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 103037651) has the molecular formula C13H16INO4 and a molecular weight of 377.18 g/mol. Its IUPAC name is (2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID103037651
Molecular FormulaC13H16INO4
Molecular Weight377.18 g/mol
Exact Mass377.01
IUPAC Name(2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2cc(I)ccc2O)CC(CO)O1
InChIInChI=1S/C13H16INO4/c1-8-5-15(6-10(7-16)19-8)13(18)11-4-9(14)2-3-12(11)17/h2-4,8,10,16-17H,5-7H2,1H3
InChIKeyIHPKKWJOPNAAEB-UHFFFAOYSA-N
XLogP1.22
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102933143
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 102932983
(3-hydroxy-4-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978661
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 102933129
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,5-dihydroxyphenyl)methanone
CID 107726249
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931481
[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936167
[2-(ethylamino)-4-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936110
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(5-hydroxy-2-nitrophenyl)methanone
CID 107076739

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 103037651) is (2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)c2cc(I)ccc2O)CC(CO)O1.
What is the InChIKey of (2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is IHPKKWJOPNAAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO4/c1-8-5-15(6-10(7-16)19-8)13(18)11-4-9(14)2-3-12(11)17/h2-4,8,10,16-17H,5-7H2,1H3.
What are the key properties of (2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
(2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 377.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 103037651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).