1,2-dichloro-4-(3,5-dichlorophenoxy)benzene

C12H6Cl4O — CID 23274711

IUPAC1,2-dichloro-4-(3,5-dichlorophenoxy)benzene
SMILESClc1cc(Cl)cc(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H6Cl4O/c13-7-3-8(14)5-10(4-7)17-9-1-2-11(15)12(16)6-9/h1-6H
InChIKeyBUPRSRBWDJVKGG-UHFFFAOYSA-N
MW307.99 g/mol
LogP6.09
Rot. Bonds2

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

1,2-dichloro-4-(3,5-dichlorophenoxy)benzene (PubChem CID 23274711) has the molecular formula C12H6Cl4O and a molecular weight of 307.99 g/mol. Its IUPAC name is 1,2-dichloro-4-(3,5-dichlorophenoxy)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(3,5-dichlorophenoxy)benzene
PubChem CID23274711
Molecular FormulaC12H6Cl4O
Molecular Weight307.99 g/mol
Exact Mass305.92
IUPAC Name1,2-dichloro-4-(3,5-dichlorophenoxy)benzene
SMILESClc1cc(Cl)cc(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H6Cl4O/c13-7-3-8(14)5-10(4-7)17-9-1-2-11(15)12(16)6-9/h1-6H
InChIKeyBUPRSRBWDJVKGG-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.99
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,7,8-Tetrachlorodibenzo-P-Dioxin
CID 15625
2,3,7-Trichlorodibenzo(b,e)(1,4)dioxin
CID 36614
1,3,7,8-Tetrachlorodibenzo-P-dioxin
CID 39732
2,3-Dichlorodibenzo-p-dioxin
CID 34586
1,2,3,8-Tetrachlorodibenzo-P-dioxin
CID 40811
Bis(2,4-dichlorophenyl)ether
CID 34140
4-Chlorophenyl phenyl ether
CID 23436
1,2,3,7-Tetrachlorodibenzo-p-dioxin
CID 48889
1,2,3,6-Tetrachlorodibenzo-P-dioxin
CID 51376
1,2,3-Trichlorodibenzo-p-dioxin
CID 91654
1,2,6,8-Tetrachlorodibenzo-p-dioxin
CID 49803
1,2,3,9-Tetrachlorodibenzo-p-dioxin
CID 51377

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(3,5-dichlorophenoxy)benzene?
The IUPAC name of 1,2-dichloro-4-(3,5-dichlorophenoxy)benzene (CID 23274711) is 1,2-dichloro-4-(3,5-dichlorophenoxy)benzene.
What is the SMILES notation for 1,2-dichloro-4-(3,5-dichlorophenoxy)benzene?
The canonical SMILES for 1,2-dichloro-4-(3,5-dichlorophenoxy)benzene is Clc1cc(Cl)cc(Oc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1,2-dichloro-4-(3,5-dichlorophenoxy)benzene?
The InChIKey is BUPRSRBWDJVKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O/c13-7-3-8(14)5-10(4-7)17-9-1-2-11(15)12(16)6-9/h1-6H.
What are the key properties of 1,2-dichloro-4-(3,5-dichlorophenoxy)benzene?
1,2-dichloro-4-(3,5-dichlorophenoxy)benzene has a molecular weight of 307.99 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(3,5-dichlorophenoxy)benzene is sourced from PubChem (CID 23274711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).