2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one

C12H12N2O5 — CID 135399209

IUPAC2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one
SMILESO=C1OC(C(O)CO)C(O)=C1/N=N/c1ccccc1
InChIInChI=1S/C12H12N2O5/c15-6-8(16)11-10(17)9(12(18)19-11)14-13-7-4-2-1-3-5-7/h1-5,8,11,15-17H,6H2/b14-13+
InChIKeyXSKSRYLDTLULCO-BUHFOSPRSA-N
MW264.24 g/mol
LogP0.82
Rot. Bonds4

About 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one

2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one (PubChem CID 135399209) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one
PubChem CID135399209
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one
SMILESO=C1OC(C(O)CO)C(O)=C1/N=N/c1ccccc1
InChIInChI=1S/C12H12N2O5/c15-6-8(16)11-10(17)9(12(18)19-11)14-13-7-4-2-1-3-5-7/h1-5,8,11,15-17H,6H2/b14-13+
InChIKeyXSKSRYLDTLULCO-BUHFOSPRSA-N
XLogP0.82
TPSA111.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one (CID 135399209) is 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one is O=C1OC(C(O)CO)C(O)=C1/N=N/c1ccccc1.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one?
The InChIKey is XSKSRYLDTLULCO-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H12N2O5/c15-6-8(16)11-10(17)9(12(18)19-11)14-13-7-4-2-1-3-5-7/h1-5,8,11,15-17H,6H2/b14-13+.
What are the key properties of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one?
2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one has a molecular weight of 264.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenyldiazenyl-2H-furan-5-one is sourced from PubChem (CID 135399209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).