2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione

C18H12O4 — CID 11056

IUPAC2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione
SMILESO=C1C(O)=C(c2ccccc2)C(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H
InChIKeyHZKFHDXTSAYOSN-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.08
Rot. Bonds2

About 2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione

2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione (PubChem CID 11056) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione
PubChem CID11056
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Name2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione
SMILESO=C1C(O)=C(c2ccccc2)C(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H
InChIKeyHZKFHDXTSAYOSN-UHFFFAOYSA-N
XLogP3.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione (CID 11056) is 2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione is O=C1C(O)=C(c2ccccc2)C(=O)C(O)=C1c1ccccc1.
What is the InChIKey of 2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is HZKFHDXTSAYOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H.
What are the key properties of 2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione?
2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 292.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 11056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).