1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione

C12H14N2O3 — CID 166947284

IUPAC1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(CCO)cc2)C(=O)N1
InChIInChI=1S/C12H14N2O3/c15-8-6-9-1-3-10(4-2-9)14-7-5-11(16)13-12(14)17/h1-4,15H,5-8H2,(H,13,16,17)
InChIKeyDCVGJWLRLHOOFC-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.67
Rot. Bonds3

About 1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione

1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 166947284) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione
PubChem CID166947284
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(CCO)cc2)C(=O)N1
InChIInChI=1S/C12H14N2O3/c15-8-6-9-1-3-10(4-2-9)14-7-5-11(16)13-12(14)17/h1-4,15H,5-8H2,(H,13,16,17)
InChIKeyDCVGJWLRLHOOFC-UHFFFAOYSA-N
XLogP0.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione (CID 166947284) is 1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(CCO)cc2)C(=O)N1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is DCVGJWLRLHOOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-8-6-9-1-3-10(4-2-9)14-7-5-11(16)13-12(14)17/h1-4,15H,5-8H2,(H,13,16,17).
What are the key properties of 1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione?
1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166947284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).