2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone

C21H15Cl3O3 — CID 2801382

IUPAC2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H15Cl3O3/c22-16-4-8-18(9-5-16)27-13-21(25)15-2-6-17(7-3-15)26-12-14-1-10-19(23)20(24)11-14/h1-11H,12-13H2
InChIKeyGUEIAORTBQILJE-UHFFFAOYSA-N
MW421.71 g/mol
LogP6.49
Rot. Bonds7

About 2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone

2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone (PubChem CID 2801382) has the molecular formula C21H15Cl3O3 and a molecular weight of 421.71 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
PubChem CID2801382
Molecular FormulaC21H15Cl3O3
Molecular Weight421.71 g/mol
Exact Mass420.01
IUPAC Name2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H15Cl3O3/c22-16-4-8-18(9-5-16)27-13-21(25)15-2-6-17(7-3-15)26-12-14-1-10-19(23)20(24)11-14/h1-11H,12-13H2
InChIKeyGUEIAORTBQILJE-UHFFFAOYSA-N
XLogP6.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.71
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
(3,4-dichlorophenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 18092678
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-[(4-bromophenoxy)methyl]benzoate
CID 126186853
2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
CID 167266699
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 3801472
3,4-dichloro-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 45055318
2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
CID 11337309

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone (CID 2801382) is 2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone is O=C(COc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone?
The InChIKey is GUEIAORTBQILJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3O3/c22-16-4-8-18(9-5-16)27-13-21(25)15-2-6-17(7-3-15)26-12-14-1-10-19(23)20(24)11-14/h1-11H,12-13H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone?
2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone has a molecular weight of 421.71 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 2801382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).