1,2-diphenylethane-1,2-dione;ethoxyethane

C18H20O3 — CID 67496620

IUPAC1,2-diphenylethane-1,2-dione;ethoxyethane
SMILESCCOCC.O=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O2.C4H10O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-5-4-2/h1-10H;3-4H2,1-2H3
InChIKeyVESKWLKWDXCHJK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.80
Rot. Bonds5

About 1,2-diphenylethane-1,2-dione;ethoxyethane

1,2-diphenylethane-1,2-dione;ethoxyethane (PubChem CID 67496620) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1,2-diphenylethane-1,2-dione;ethoxyethane.

Molecular Properties

Compound Name1,2-diphenylethane-1,2-dione;ethoxyethane
PubChem CID67496620
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1,2-diphenylethane-1,2-dione;ethoxyethane
SMILESCCOCC.O=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O2.C4H10O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-5-4-2/h1-10H;3-4H2,1-2H3
InChIKeyVESKWLKWDXCHJK-UHFFFAOYSA-N
XLogP3.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1,2-diphenylethane-1,2-dione;ethoxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethoxyethane benzoate
CID 22178435
ethyl 2-oxo-2-phenylacetate
CID 15349
benzoic acid;chloroform;ethoxyethane;hydrochloride
CID 70571094
1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione
CID 141052771
(2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one
CID 24972949
ethoxyethane;1-phenylethenylbenzene
CID 69353422
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
ethoxyethane;methyl 2-phenylprop-2-enoate
CID 174753576
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethane-1,2-dione;ethoxyethane?
The IUPAC name of 1,2-diphenylethane-1,2-dione;ethoxyethane (CID 67496620) is 1,2-diphenylethane-1,2-dione;ethoxyethane.
What is the SMILES notation for 1,2-diphenylethane-1,2-dione;ethoxyethane?
The canonical SMILES for 1,2-diphenylethane-1,2-dione;ethoxyethane is CCOCC.O=C(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethane-1,2-dione;ethoxyethane?
The InChIKey is VESKWLKWDXCHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.C4H10O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-5-4-2/h1-10H;3-4H2,1-2H3.
What are the key properties of 1,2-diphenylethane-1,2-dione;ethoxyethane?
1,2-diphenylethane-1,2-dione;ethoxyethane has a molecular weight of 284.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethane-1,2-dione;ethoxyethane is sourced from PubChem (CID 67496620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).