1,2-dichloro-3-(3-chlorophenoxy)benzene

C12H7Cl3O — CID 72941852

IUPAC1,2-dichloro-3-(3-chlorophenoxy)benzene
SMILESClc1cccc(Oc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H7Cl3O/c13-8-3-1-4-9(7-8)16-11-6-2-5-10(14)12(11)15/h1-7H
InChIKeyWRBFXFUXFGLONT-UHFFFAOYSA-N
MW273.55 g/mol
LogP5.44
Rot. Bonds2

About 1,2-dichloro-3-(3-chlorophenoxy)benzene

1,2-dichloro-3-(3-chlorophenoxy)benzene (PubChem CID 72941852) has the molecular formula C12H7Cl3O and a molecular weight of 273.55 g/mol. Its IUPAC name is 1,2-dichloro-3-(3-chlorophenoxy)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(3-chlorophenoxy)benzene
PubChem CID72941852
Molecular FormulaC12H7Cl3O
Molecular Weight273.55 g/mol
Exact Mass271.96
IUPAC Name1,2-dichloro-3-(3-chlorophenoxy)benzene
SMILESClc1cccc(Oc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H7Cl3O/c13-8-3-1-4-9(7-8)16-11-6-2-5-10(14)12(11)15/h1-7H
InChIKeyWRBFXFUXFGLONT-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.55
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3-trichloro-4-(3-chlorophenoxy)benzene
CID 23274712
1,2,4-trichloro-5-(3-chlorophenoxy)benzene
CID 23274709
1,2-dichloro-3-(2,5-dichlorophenoxy)benzene
CID 72941858
1-chloro-3-(2-iodophenoxy)benzene
CID 138106392
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552561
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
1-chloro-2-(3-chlorophenoxy)-4-methylbenzene
CID 170985153
3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
4-chloro-3-(3-chlorophenoxy)benzaldehyde
CID 170985401
2-(3-chlorophenoxy)-4-fluoroaniline
CID 62378026
4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
CID 114844667
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552562

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(3-chlorophenoxy)benzene?
The IUPAC name of 1,2-dichloro-3-(3-chlorophenoxy)benzene (CID 72941852) is 1,2-dichloro-3-(3-chlorophenoxy)benzene.
What is the SMILES notation for 1,2-dichloro-3-(3-chlorophenoxy)benzene?
The canonical SMILES for 1,2-dichloro-3-(3-chlorophenoxy)benzene is Clc1cccc(Oc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1,2-dichloro-3-(3-chlorophenoxy)benzene?
The InChIKey is WRBFXFUXFGLONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O/c13-8-3-1-4-9(7-8)16-11-6-2-5-10(14)12(11)15/h1-7H.
What are the key properties of 1,2-dichloro-3-(3-chlorophenoxy)benzene?
1,2-dichloro-3-(3-chlorophenoxy)benzene has a molecular weight of 273.55 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(3-chlorophenoxy)benzene is sourced from PubChem (CID 72941852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).