(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone

C13H6Cl4O — CID 43344575

IUPAC(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6Cl4O/c14-7-2-4-11(16)10(5-7)13(18)9-3-1-8(15)6-12(9)17/h1-6H
InChIKeyTZBNLXIXLJLJGI-UHFFFAOYSA-N
MW320.00 g/mol
LogP5.53
Rot. Bonds2

About (2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone

(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone (PubChem CID 43344575) has the molecular formula C13H6Cl4O and a molecular weight of 320.00 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
PubChem CID43344575
Molecular FormulaC13H6Cl4O
Molecular Weight320.00 g/mol
Exact Mass317.92
IUPAC Name(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6Cl4O/c14-7-2-4-11(16)10(5-7)13(18)9-3-1-8(15)6-12(9)17/h1-6H
InChIKeyTZBNLXIXLJLJGI-UHFFFAOYSA-N
XLogP5.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.00
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
CID 107475826
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
[4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone
CID 15065209
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone (CID 43344575) is (2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone?
The InChIKey is TZBNLXIXLJLJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4O/c14-7-2-4-11(16)10(5-7)13(18)9-3-1-8(15)6-12(9)17/h1-6H.
What are the key properties of (2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone?
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone has a molecular weight of 320.00 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 43344575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).