(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone

C20H13Cl3O2 — CID 3914147

IUPAC(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H13Cl3O2/c21-16-6-1-13(2-7-16)20(24)14-4-9-18(10-5-14)25-12-15-3-8-17(22)11-19(15)23/h1-11H,12H2
InChIKeyZBEPMXAFZAIJSM-UHFFFAOYSA-N
MW391.68 g/mol
LogP6.46
Rot. Bonds5

About (4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone

(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone (PubChem CID 3914147) has the molecular formula C20H13Cl3O2 and a molecular weight of 391.68 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
PubChem CID3914147
Molecular FormulaC20H13Cl3O2
Molecular Weight391.68 g/mol
Exact Mass390.00
IUPAC Name(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H13Cl3O2/c21-16-6-1-13(2-7-16)20(24)14-4-9-18(10-5-14)25-12-15-3-8-17(22)11-19(15)23/h1-11H,12H2
InChIKeyZBEPMXAFZAIJSM-UHFFFAOYSA-N
XLogP6.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.68
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 132591174
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one
CID 70587661
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496
3-chloro-4-[(4-hydroxyphenoxy)methyl]phenol
CID 117219716

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone (CID 3914147) is (4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone?
The InChIKey is ZBEPMXAFZAIJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3O2/c21-16-6-1-13(2-7-16)20(24)14-4-9-18(10-5-14)25-12-15-3-8-17(22)11-19(15)23/h1-11H,12H2.
What are the key properties of (4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone?
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone has a molecular weight of 391.68 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 3914147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).