2,3-dichloroanthracene-1,4-dione

C14H6Cl2O2 — CID 10869572

IUPAC2,3-dichloroanthracene-1,4-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C14H6Cl2O2/c15-11-12(16)14(18)10-6-8-4-2-1-3-7(8)5-9(10)13(11)17/h1-6H
InChIKeyVPPOIATZCIIXJD-UHFFFAOYSA-N
MW277.11 g/mol
LogP3.91
Rot. Bonds

About 2,3-dichloroanthracene-1,4-dione

2,3-dichloroanthracene-1,4-dione (PubChem CID 10869572) has the molecular formula C14H6Cl2O2 and a molecular weight of 277.11 g/mol. Its IUPAC name is 2,3-dichloroanthracene-1,4-dione.

Molecular Properties

Compound Name2,3-dichloroanthracene-1,4-dione
PubChem CID10869572
Molecular FormulaC14H6Cl2O2
Molecular Weight277.11 g/mol
Exact Mass275.97
IUPAC Name2,3-dichloroanthracene-1,4-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C14H6Cl2O2/c15-11-12(16)14(18)10-6-8-4-2-1-3-7(8)5-9(10)13(11)17/h1-6H
InChIKeyVPPOIATZCIIXJD-UHFFFAOYSA-N
XLogP3.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloroanthracene-1,4-dione?
The IUPAC name of 2,3-dichloroanthracene-1,4-dione (CID 10869572) is 2,3-dichloroanthracene-1,4-dione.
What is the SMILES notation for 2,3-dichloroanthracene-1,4-dione?
The canonical SMILES for 2,3-dichloroanthracene-1,4-dione is O=C1C(Cl)=C(Cl)C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 2,3-dichloroanthracene-1,4-dione?
The InChIKey is VPPOIATZCIIXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2O2/c15-11-12(16)14(18)10-6-8-4-2-1-3-7(8)5-9(10)13(11)17/h1-6H.
What are the key properties of 2,3-dichloroanthracene-1,4-dione?
2,3-dichloroanthracene-1,4-dione has a molecular weight of 277.11 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloroanthracene-1,4-dione is sourced from PubChem (CID 10869572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).