cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione

C18H12O4 — CID 158662900

IUPACcyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(c2ccccc2)=C1.O=C1C=CC(=O)C=C1
InChIInChI=1S/C12H8O2.C6H4O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9;7-5-1-2-6(8)4-3-5/h1-8H;1-4H
InChIKeyICZDHVYVAWKNKO-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.03
Rot. Bonds1

About cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione

cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione (PubChem CID 158662900) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Namecyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione
PubChem CID158662900
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Namecyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(c2ccccc2)=C1.O=C1C=CC(=O)C=C1
InChIInChI=1S/C12H8O2.C6H4O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9;7-5-1-2-6(8)4-3-5/h1-8H;1-4H
InChIKeyICZDHVYVAWKNKO-UHFFFAOYSA-N
XLogP2.03
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenylphenyl)cyclohexa-2,5-diene-1,4-dione
CID 174765113
2-(2,5-diphenylphenyl)cyclohexa-2,5-diene-1,4-dione
CID 57046928
bromobenzene;cyclohexa-2,5-diene-1,4-dione
CID 174480452
N-(4-oxo-2-phenylcyclohexa-2,5-dien-1-ylidene)acetamide
CID 90236585
2,3,4-triphenylcyclopenta-2,4-dien-1-one
CID 12722873
2-tert-butyl-5-phenylcyclohexa-2,5-diene-1,4-dione
CID 19008554
cyclohexa-2,5-diene-1,4-dione;phenol
CID 67783364
2-anilino-5-phenylcyclohexa-2,5-diene-1,4-dione
CID 146457509
2-phenanthren-1-ylcyclohexa-2,5-diene-1,4-dione;hydrate
CID 175130283
2-[2-(2,4,6-trimethylphenyl)phenyl]cyclohexa-2,5-diene-1,4-dione
CID 175597368
2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione
CID 67717361
2-(4-oxo-2,5-diphenylcyclohexa-2,5-dien-1-ylidene)-4-(triphenyl-lambda5-phosphanylidene)cyclobutane-1,3-dione
CID 15253825

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione (CID 158662900) is cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione is O=C1C=CC(=O)C(c2ccccc2)=C1.O=C1C=CC(=O)C=C1.
What is the InChIKey of cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is ICZDHVYVAWKNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2.C6H4O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9;7-5-1-2-6(8)4-3-5/h1-8H;1-4H.
What are the key properties of cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione?
cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 292.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 158662900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).