1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone

C10H6Cl4O2 — CID 123894903

IUPAC1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone
SMILESCC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(C)=O
InChIInChI=1S/C10H6Cl4O2/c1-3(15)5-6(4(2)16)8(12)10(14)9(13)7(5)11/h1-2H3
InChIKeyWSEGWUGQIDDZPV-UHFFFAOYSA-N
MW299.97 g/mol
LogP4.71
Rot. Bonds2

About 1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone

1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone (PubChem CID 123894903) has the molecular formula C10H6Cl4O2 and a molecular weight of 299.97 g/mol. Its IUPAC name is 1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone
PubChem CID123894903
Molecular FormulaC10H6Cl4O2
Molecular Weight299.97 g/mol
Exact Mass297.91
IUPAC Name1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone
SMILESCC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(C)=O
InChIInChI=1S/C10H6Cl4O2/c1-3(15)5-6(4(2)16)8(12)10(14)9(13)7(5)11/h1-2H3
InChIKeyWSEGWUGQIDDZPV-UHFFFAOYSA-N
XLogP4.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.97
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone?
The IUPAC name of 1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone (CID 123894903) is 1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone.
What is the SMILES notation for 1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone?
The canonical SMILES for 1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone is CC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(C)=O.
What is the InChIKey of 1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone?
The InChIKey is WSEGWUGQIDDZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl4O2/c1-3(15)5-6(4(2)16)8(12)10(14)9(13)7(5)11/h1-2H3.
What are the key properties of 1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone?
1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone has a molecular weight of 299.97 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-3,4,5,6-tetrachlorophenyl)ethanone is sourced from PubChem (CID 123894903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).