anthracene-1,4-dicarbonyl chloride

C16H8Cl2O2 — CID 21424527

IUPACanthracene-1,4-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(C(=O)Cl)c2cc3ccccc3cc12
InChIInChI=1S/C16H8Cl2O2/c17-15(19)11-5-6-12(16(18)20)14-8-10-4-2-1-3-9(10)7-13(11)14/h1-8H
InChIKeyUXBXRJXSICRQJB-UHFFFAOYSA-N
MW303.14 g/mol
LogP4.75
Rot. Bonds2

About anthracene-1,4-dicarbonyl chloride

anthracene-1,4-dicarbonyl chloride (PubChem CID 21424527) has the molecular formula C16H8Cl2O2 and a molecular weight of 303.14 g/mol. Its IUPAC name is anthracene-1,4-dicarbonyl chloride.

Molecular Properties

Compound Nameanthracene-1,4-dicarbonyl chloride
PubChem CID21424527
Molecular FormulaC16H8Cl2O2
Molecular Weight303.14 g/mol
Exact Mass301.99
IUPAC Nameanthracene-1,4-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(C(=O)Cl)c2cc3ccccc3cc12
InChIInChI=1S/C16H8Cl2O2/c17-15(19)11-5-6-12(16(18)20)14-8-10-4-2-1-3-9(10)7-13(11)14/h1-8H
InChIKeyUXBXRJXSICRQJB-UHFFFAOYSA-N
XLogP4.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of anthracene-1,4-dicarbonyl chloride?
The IUPAC name of anthracene-1,4-dicarbonyl chloride (CID 21424527) is anthracene-1,4-dicarbonyl chloride.
What is the SMILES notation for anthracene-1,4-dicarbonyl chloride?
The canonical SMILES for anthracene-1,4-dicarbonyl chloride is O=C(Cl)c1ccc(C(=O)Cl)c2cc3ccccc3cc12.
What is the InChIKey of anthracene-1,4-dicarbonyl chloride?
The InChIKey is UXBXRJXSICRQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2O2/c17-15(19)11-5-6-12(16(18)20)14-8-10-4-2-1-3-9(10)7-13(11)14/h1-8H.
What are the key properties of anthracene-1,4-dicarbonyl chloride?
anthracene-1,4-dicarbonyl chloride has a molecular weight of 303.14 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1,4-dicarbonyl chloride is sourced from PubChem (CID 21424527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).