1-(2,5-dichlorophenyl)ethanone;ethane

C10H12Cl2O — CID 145081107

IUPAC1-(2,5-dichlorophenyl)ethanone;ethane
SMILESCC.CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H6Cl2O.C2H6/c1-5(11)7-4-6(9)2-3-8(7)10;1-2/h2-4H,1H3;1-2H3
InChIKeyJZVNBJJXHGWGLF-UHFFFAOYSA-N
MW219.11 g/mol
LogP4.22
Rot. Bonds1

About 1-(2,5-dichlorophenyl)ethanone;ethane

1-(2,5-dichlorophenyl)ethanone;ethane (PubChem CID 145081107) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)ethanone;ethane.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)ethanone;ethane
PubChem CID145081107
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name1-(2,5-dichlorophenyl)ethanone;ethane
SMILESCC.CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H6Cl2O.C2H6/c1-5(11)7-4-6(9)2-3-8(7)10;1-2/h2-4H,1H3;1-2H3
InChIKeyJZVNBJJXHGWGLF-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-acetyl-5-chlorobenzoic acid
CID 11229391
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
2-acetyl-4-chlorobenzamide
CID 157282795
1-(2-tert-butyl-5-chlorophenyl)ethanone
CID 84781393
1-(2,5-dichlorophenyl)butane-1,3-dione
CID 43089597
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712
1-(2-chloro-5-methylsulfinylphenyl)ethanone
CID 23464958
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470
1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone
CID 82264831
1-(2-chloro-5-propan-2-ylphenyl)ethanone
CID 83988508
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)ethanone;ethane?
The IUPAC name of 1-(2,5-dichlorophenyl)ethanone;ethane (CID 145081107) is 1-(2,5-dichlorophenyl)ethanone;ethane.
What is the SMILES notation for 1-(2,5-dichlorophenyl)ethanone;ethane?
The canonical SMILES for 1-(2,5-dichlorophenyl)ethanone;ethane is CC.CC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)ethanone;ethane?
The InChIKey is JZVNBJJXHGWGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O.C2H6/c1-5(11)7-4-6(9)2-3-8(7)10;1-2/h2-4H,1H3;1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)ethanone;ethane?
1-(2,5-dichlorophenyl)ethanone;ethane has a molecular weight of 219.11 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)ethanone;ethane is sourced from PubChem (CID 145081107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).