1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene

C17H14Cl4O2 — CID 88738435

IUPAC1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
SMILESC.ClC(Cl)=C(Cl)Cl.O=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O2.C2Cl4.CH4/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;3-1(4)2(5)6;/h1-10H;;1H4
InChIKeyZOEUMFQROWUZPK-UHFFFAOYSA-N
MW392.11 g/mol
LogP6.46
Rot. Bonds3

About 1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene

1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene (PubChem CID 88738435) has the molecular formula C17H14Cl4O2 and a molecular weight of 392.11 g/mol. Its IUPAC name is 1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene.

Molecular Properties

Compound Name1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
PubChem CID88738435
Molecular FormulaC17H14Cl4O2
Molecular Weight392.11 g/mol
Exact Mass389.97
IUPAC Name1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
SMILESC.ClC(Cl)=C(Cl)Cl.O=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O2.C2Cl4.CH4/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;3-1(4)2(5)6;/h1-10H;;1H4
InChIKeyZOEUMFQROWUZPK-UHFFFAOYSA-N
XLogP6.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.11
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
2,3-dioxo-3-phenylpropanoyl chloride
CID 87558488
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
(Z)-2,3-dichloro-1-phenylprop-2-en-1-one
CID 15354762
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene
CID 88675823
2-oxo-2-phenylacetic acid;yttrium
CID 20801354

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene?
The IUPAC name of 1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene (CID 88738435) is 1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene.
What is the SMILES notation for 1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene?
The canonical SMILES for 1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene is C.ClC(Cl)=C(Cl)Cl.O=C(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene?
The InChIKey is ZOEUMFQROWUZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.C2Cl4.CH4/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;3-1(4)2(5)6;/h1-10H;;1H4.
What are the key properties of 1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene?
1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene has a molecular weight of 392.11 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene is sourced from PubChem (CID 88738435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).