anthracene-9,10-dione

C14H8O2 — CID 6780

IUPACanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKeyRZVHIXYEVGDQDX-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.46
Rot. Bonds

About anthracene-9,10-dione

anthracene-9,10-dione (PubChem CID 6780) has the molecular formula C14H8O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is anthracene-9,10-dione.

Molecular Properties

Compound Nameanthracene-9,10-dione
PubChem CID6780
Molecular FormulaC14H8O2
Molecular Weight208.22 g/mol
Exact Mass208.05
IUPAC Nameanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKeyRZVHIXYEVGDQDX-UHFFFAOYSA-N
XLogP2.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione?
The IUPAC name of anthracene-9,10-dione (CID 6780) is anthracene-9,10-dione.
What is the SMILES notation for anthracene-9,10-dione?
The canonical SMILES for anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of anthracene-9,10-dione?
The InChIKey is RZVHIXYEVGDQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H.
What are the key properties of anthracene-9,10-dione?
anthracene-9,10-dione has a molecular weight of 208.22 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione is sourced from PubChem (CID 6780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).