1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane

C53H38Cl10O6 — CID 160666501

IUPAC1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane
SMILESC.CC(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1.CC(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.Clc1ccc(Oc2ccc(Cl)cc2)cc1.Clc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H9Cl3O2.C14H10Cl2O2.C12H7Cl3O.C12H8Cl2O.CH4/c1-8(18)11-6-9(15)2-4-13(11)19-14-5-3-10(16)7-12(14)17;1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12;13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h2-7H,1H3;2-8H,1H3;1-7H;1-8H;1H4
InChIKeyRMJHMKQNLQQGLQ-UHFFFAOYSA-N
MW1125.41 g/mol
LogP21.49
Rot. Bonds10

About 1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane

1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane (PubChem CID 160666501) has the molecular formula C53H38Cl10O6 and a molecular weight of 1125.41 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane.

Molecular Properties

Compound Name1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane
PubChem CID160666501
Molecular FormulaC53H38Cl10O6
Molecular Weight1125.41 g/mol
Exact Mass1119.96
IUPAC Name1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane
SMILESC.CC(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1.CC(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.Clc1ccc(Oc2ccc(Cl)cc2)cc1.Clc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H9Cl3O2.C14H10Cl2O2.C12H7Cl3O.C12H8Cl2O.CH4/c1-8(18)11-6-9(15)2-4-13(11)19-14-5-3-10(16)7-12(14)17;1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12;13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h2-7H,1H3;2-8H,1H3;1-7H;1-8H;1H4
InChIKeyRMJHMKQNLQQGLQ-UHFFFAOYSA-N
XLogP21.49
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.41
LogP ≤ 521.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane with MolForge

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Related Compounds

1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
CID 677479
1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone
CID 62873585
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
[4-(2,4-dichlorophenoxy)anilino] acetate
CID 154699813
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
CID 12767799
methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate
CID 20648456
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone
CID 63533407
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]ethanone
CID 55222650

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane?
The IUPAC name of 1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane (CID 160666501) is 1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane.
What is the SMILES notation for 1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane?
The canonical SMILES for 1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane is C.CC(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1.CC(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.Clc1ccc(Oc2ccc(Cl)cc2)cc1.Clc1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane?
The InChIKey is RMJHMKQNLQQGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O2.C14H10Cl2O2.C12H7Cl3O.C12H8Cl2O.CH4/c1-8(18)11-6-9(15)2-4-13(11)19-14-5-3-10(16)7-12(14)17;1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12;13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h2-7H,1H3;2-8H,1H3;1-7H;1-8H;1H4.
What are the key properties of 1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane?
1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane has a molecular weight of 1125.41 g/mol, XLogP of 21.49, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane is sourced from PubChem (CID 160666501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).