5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione

C13H14N2O6 — CID 142822225

IUPAC5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
SMILESCOCCC1(Oc2ccc(O)cc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C13H14N2O6/c1-20-7-6-13(10(17)14-12(19)15-11(13)18)21-9-4-2-8(16)3-5-9/h2-5,16H,6-7H2,1H3,(H2,14,15,17,18,19)
InChIKeyGZGOEAKIQVYEIZ-UHFFFAOYSA-N
MW294.26 g/mol
LogP-0.09
Rot. Bonds5

About 5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione

5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 142822225) has the molecular formula C13H14N2O6 and a molecular weight of 294.26 g/mol. Its IUPAC name is 5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
PubChem CID142822225
Molecular FormulaC13H14N2O6
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
SMILESCOCCC1(Oc2ccc(O)cc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C13H14N2O6/c1-20-7-6-13(10(17)14-12(19)15-11(13)18)21-9-4-2-8(16)3-5-9/h2-5,16H,6-7H2,1H3,(H2,14,15,17,18,19)
InChIKeyGZGOEAKIQVYEIZ-UHFFFAOYSA-N
XLogP-0.09
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione (CID 142822225) is 5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione is COCCC1(Oc2ccc(O)cc2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is GZGOEAKIQVYEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6/c1-20-7-6-13(10(17)14-12(19)15-11(13)18)21-9-4-2-8(16)3-5-9/h2-5,16H,6-7H2,1H3,(H2,14,15,17,18,19).
What are the key properties of 5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione?
5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 294.26 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenoxy)-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 142822225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).