anthracene-9,10-dione;benzene-1,4-diol

C20H14O4 — CID 70474233

IUPACanthracene-9,10-dione;benzene-1,4-diol
SMILESO=C1c2ccccc2C(=O)c2ccccc21.Oc1ccc(O)cc1
InChIInChI=1S/C14H8O2.C6H6O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;7-5-1-2-6(8)4-3-5/h1-8H;1-4,7-8H
InChIKeyIXYBFZWIFLLCHQ-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.56
Rot. Bonds

About anthracene-9,10-dione;benzene-1,4-diol

anthracene-9,10-dione;benzene-1,4-diol (PubChem CID 70474233) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is anthracene-9,10-dione;benzene-1,4-diol.

Molecular Properties

Compound Nameanthracene-9,10-dione;benzene-1,4-diol
PubChem CID70474233
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Nameanthracene-9,10-dione;benzene-1,4-diol
SMILESO=C1c2ccccc2C(=O)c2ccccc21.Oc1ccc(O)cc1
InChIInChI=1S/C14H8O2.C6H6O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;7-5-1-2-6(8)4-3-5/h1-8H;1-4,7-8H
InChIKeyIXYBFZWIFLLCHQ-UHFFFAOYSA-N
XLogP3.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione;benzene-1,4-diol?
The IUPAC name of anthracene-9,10-dione;benzene-1,4-diol (CID 70474233) is anthracene-9,10-dione;benzene-1,4-diol.
What is the SMILES notation for anthracene-9,10-dione;benzene-1,4-diol?
The canonical SMILES for anthracene-9,10-dione;benzene-1,4-diol is O=C1c2ccccc2C(=O)c2ccccc21.Oc1ccc(O)cc1.
What is the InChIKey of anthracene-9,10-dione;benzene-1,4-diol?
The InChIKey is IXYBFZWIFLLCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.C6H6O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;7-5-1-2-6(8)4-3-5/h1-8H;1-4,7-8H.
What are the key properties of anthracene-9,10-dione;benzene-1,4-diol?
anthracene-9,10-dione;benzene-1,4-diol has a molecular weight of 318.33 g/mol, XLogP of 3.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;benzene-1,4-diol is sourced from PubChem (CID 70474233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).