1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene

C13H6Cl6O2 — CID 71372234

IUPAC1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene
SMILESCOc1cc(Cl)c(Cl)cc1Oc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H6Cl6O2/c1-20-9-3-5(14)6(15)4-10(9)21-13-11(18)7(16)2-8(17)12(13)19/h2-4H,1H3
InChIKeyJVHQZAUJUYAFBE-UHFFFAOYSA-N
MW406.91 g/mol
LogP7.41
Rot. Bonds3

About 1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene

1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene (PubChem CID 71372234) has the molecular formula C13H6Cl6O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene
PubChem CID71372234
Molecular FormulaC13H6Cl6O2
Molecular Weight406.91 g/mol
Exact Mass403.85
IUPAC Name1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene
SMILESCOc1cc(Cl)c(Cl)cc1Oc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H6Cl6O2/c1-20-9-3-5(14)6(15)4-10(9)21-13-11(18)7(16)2-8(17)12(13)19/h2-4H,1H3
InChIKeyJVHQZAUJUYAFBE-UHFFFAOYSA-N
XLogP7.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetrachloro-5-methoxybenzene
CID 13649
1,2,3,5-tetrachloro-4-(2,3,5,6-tetrachlorophenoxy)benzene
CID 14178031
1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenoxy)benzene
CID 14935807
6,7-dichloro-1,4,9,10-tetramethoxyanthracene
CID 139930251
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
3,4-dichloro-5-methoxybenzaldehyde
CID 21483929
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene
CID 86189494
3,4-dichloro-5-methoxybenzoyl chloride
CID 21483940
6-chloro-2,3,4-trimethoxyphenol
CID 13442752
tris(2,3,5-trichloro-6-methoxyphenyl)borane
CID 87743306
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene?
The IUPAC name of 1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene (CID 71372234) is 1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene.
What is the SMILES notation for 1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene?
The canonical SMILES for 1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene is COc1cc(Cl)c(Cl)cc1Oc1c(Cl)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene?
The InChIKey is JVHQZAUJUYAFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl6O2/c1-20-9-3-5(14)6(15)4-10(9)21-13-11(18)7(16)2-8(17)12(13)19/h2-4H,1H3.
What are the key properties of 1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene?
1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene has a molecular weight of 406.91 g/mol, XLogP of 7.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene is sourced from PubChem (CID 71372234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).