1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene

C14H10Cl4O2 — CID 54485127

IUPAC1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene
SMILESCOc1ccc(-c2ccc(Cl)c(Cl)c2OC)c(Cl)c1Cl
InChIInChI=1S/C14H10Cl4O2/c1-19-10-6-4-7(11(16)13(10)18)8-3-5-9(15)12(17)14(8)20-2/h3-6H,1-2H3
InChIKeyXRTISKVCLBXGOB-UHFFFAOYSA-N
MW352.04 g/mol
LogP5.98
Rot. Bonds3

About 1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene

1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene (PubChem CID 54485127) has the molecular formula C14H10Cl4O2 and a molecular weight of 352.04 g/mol. Its IUPAC name is 1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene.

Molecular Properties

Compound Name1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene
PubChem CID54485127
Molecular FormulaC14H10Cl4O2
Molecular Weight352.04 g/mol
Exact Mass349.94
IUPAC Name1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene
SMILESCOc1ccc(-c2ccc(Cl)c(Cl)c2OC)c(Cl)c1Cl
InChIInChI=1S/C14H10Cl4O2/c1-19-10-6-4-7(11(16)13(10)18)8-3-5-9(15)12(17)14(8)20-2/h3-6H,1-2H3
InChIKeyXRTISKVCLBXGOB-UHFFFAOYSA-N
XLogP5.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.04
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene?
The IUPAC name of 1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene (CID 54485127) is 1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene.
What is the SMILES notation for 1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene?
The canonical SMILES for 1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene is COc1ccc(-c2ccc(Cl)c(Cl)c2OC)c(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene?
The InChIKey is XRTISKVCLBXGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O2/c1-19-10-6-4-7(11(16)13(10)18)8-3-5-9(15)12(17)14(8)20-2/h3-6H,1-2H3.
What are the key properties of 1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene?
1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene has a molecular weight of 352.04 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene is sourced from PubChem (CID 54485127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).