1,2-dichloro-3-(2,6-dichlorophenoxy)benzene

C12H6Cl4O — CID 72941859

IUPAC1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
SMILESClc1cccc(Oc2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C12H6Cl4O/c13-7-3-2-6-10(11(7)16)17-12-8(14)4-1-5-9(12)15/h1-6H
InChIKeyKDCKWINSPKLQNE-UHFFFAOYSA-N
MW307.99 g/mol
LogP6.09
Rot. Bonds2

About 1,2-dichloro-3-(2,6-dichlorophenoxy)benzene

1,2-dichloro-3-(2,6-dichlorophenoxy)benzene (PubChem CID 72941859) has the molecular formula C12H6Cl4O and a molecular weight of 307.99 g/mol. Its IUPAC name is 1,2-dichloro-3-(2,6-dichlorophenoxy)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
PubChem CID72941859
Molecular FormulaC12H6Cl4O
Molecular Weight307.99 g/mol
Exact Mass305.92
IUPAC Name1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
SMILESClc1cccc(Oc2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C12H6Cl4O/c13-7-3-2-6-10(11(7)16)17-12-8(14)4-1-5-9(12)15/h1-6H
InChIKeyKDCKWINSPKLQNE-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

1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
3-chloro-4-(2,3-dichlorophenoxy)thiophene
CID 173291739
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852
1,2-dichloro-3-(2,5-dichlorophenoxy)benzene
CID 72941858
2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
CID 63815236
3-chloro-4-(2,3-dichlorophenoxy)phenol
CID 154322466
1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 162775400
5-bromo-2-(2,3-dichlorophenoxy)pyrimidine
CID 13336590
4-(2,3-dichlorophenoxy)triazine
CID 19834440
6-(2,3-dichlorophenoxy)pyridine-2,3-diamine
CID 79826072
1-[2-(2,3-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282384
3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde
CID 114067263

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(2,6-dichlorophenoxy)benzene?
The IUPAC name of 1,2-dichloro-3-(2,6-dichlorophenoxy)benzene (CID 72941859) is 1,2-dichloro-3-(2,6-dichlorophenoxy)benzene.
What is the SMILES notation for 1,2-dichloro-3-(2,6-dichlorophenoxy)benzene?
The canonical SMILES for 1,2-dichloro-3-(2,6-dichlorophenoxy)benzene is Clc1cccc(Oc2c(Cl)cccc2Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(2,6-dichlorophenoxy)benzene?
The InChIKey is KDCKWINSPKLQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O/c13-7-3-2-6-10(11(7)16)17-12-8(14)4-1-5-9(12)15/h1-6H.
What are the key properties of 1,2-dichloro-3-(2,6-dichlorophenoxy)benzene?
1,2-dichloro-3-(2,6-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-3-(2,6-dichlorophenoxy)benzene is sourced from PubChem (CID 72941859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).