1-chloro-4-(4-chlorophenoxy)benzene

C12H8Cl2O — CID 17126

IUPAC1-chloro-4-(4-chlorophenoxy)benzene
SMILESClc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKeyURUJZHZLCCIILC-UHFFFAOYSA-N
MW239.10 g/mol
LogP4.79
Rot. Bonds2

About 1-chloro-4-(4-chlorophenoxy)benzene

1-chloro-4-(4-chlorophenoxy)benzene (PubChem CID 17126) has the molecular formula C12H8Cl2O and a molecular weight of 239.10 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorophenoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-(4-chlorophenoxy)benzene
PubChem CID17126
Molecular FormulaC12H8Cl2O
Molecular Weight239.10 g/mol
Exact Mass238.00
IUPAC Name1-chloro-4-(4-chlorophenoxy)benzene
SMILESClc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKeyURUJZHZLCCIILC-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diphenyl Ether
CID 7583
2-(4-Chlorophenoxy)ethanol
CID 15907
2,7-Dichlorodibenzo-P-dioxin
CID 36613
2,8-Dichlorodibenzo-p-dioxin
CID 38193
Bis(2,4-dichlorophenyl)ether
CID 34140
4-Chlorophenyl phenyl ether
CID 23436
2-Chlorodibenzo-p-dioxin
CID 38252
Soneclosan
CID 18807
4-Chlorophenyl Acetate
CID 13410
4-Chloroanisole
CID 12167
Benzene, 1-chloro-4-ethoxy-
CID 69326
Butyric acid, p-chlorophenyl ester
CID 81993

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorophenoxy)benzene?
The IUPAC name of 1-chloro-4-(4-chlorophenoxy)benzene (CID 17126) is 1-chloro-4-(4-chlorophenoxy)benzene.
What is the SMILES notation for 1-chloro-4-(4-chlorophenoxy)benzene?
The canonical SMILES for 1-chloro-4-(4-chlorophenoxy)benzene is Clc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-(4-chlorophenoxy)benzene?
The InChIKey is URUJZHZLCCIILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of 1-chloro-4-(4-chlorophenoxy)benzene?
1-chloro-4-(4-chlorophenoxy)benzene has a molecular weight of 239.10 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chlorophenoxy)benzene is sourced from PubChem (CID 17126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).