1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene

C20H15Cl3O2 — CID 67893432

IUPAC1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene
SMILESCc1ccc(Oc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2Cl)c(C)c1
InChIInChI=1S/C20H15Cl3O2/c1-12-3-7-19(13(2)9-12)25-20-8-5-15(11-18(20)23)24-14-4-6-16(21)17(22)10-14/h3-11H,1-2H3
InChIKeyBFZLMZFVYQNYBW-UHFFFAOYSA-N
MW393.70 g/mol
LogP7.85
Rot. Bonds4

About 1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene

1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene (PubChem CID 67893432) has the molecular formula C20H15Cl3O2 and a molecular weight of 393.70 g/mol. Its IUPAC name is 1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene
PubChem CID67893432
Molecular FormulaC20H15Cl3O2
Molecular Weight393.70 g/mol
Exact Mass392.01
IUPAC Name1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene
SMILESCc1ccc(Oc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2Cl)c(C)c1
InChIInChI=1S/C20H15Cl3O2/c1-12-3-7-19(13(2)9-12)25-20-8-5-15(11-18(20)23)24-14-4-6-16(21)17(22)10-14/h3-11H,1-2H3
InChIKeyBFZLMZFVYQNYBW-UHFFFAOYSA-N
XLogP7.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene
CID 123528023
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
CID 160687040
[4-(2-chloro-4-methylphenoxy)-3-methylphenyl]methanol
CID 62673606
1-[4-(3,4-dichlorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63551292
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
CID 91264614
3-chloro-4-(2,4-dimethylphenoxy)benzonitrile;3-chloro-4-(2-methoxy-5-methylphenoxy)benzonitrile
CID 69464154
2-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]ethanamine
CID 63804026
1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63552216
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
1-chloro-4-(2,4-dimethylphenoxy)phthalazine
CID 62140045
3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
CID 60726072

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene?
The IUPAC name of 1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene (CID 67893432) is 1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene.
What is the SMILES notation for 1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene?
The canonical SMILES for 1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene is Cc1ccc(Oc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2Cl)c(C)c1.
What is the InChIKey of 1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene?
The InChIKey is BFZLMZFVYQNYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3O2/c1-12-3-7-19(13(2)9-12)25-20-8-5-15(11-18(20)23)24-14-4-6-16(21)17(22)10-14/h3-11H,1-2H3.
What are the key properties of 1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene?
1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene has a molecular weight of 393.70 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene is sourced from PubChem (CID 67893432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).