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

C13H8Cl4O — CID 86183687

IUPAC2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene
SMILESCOc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl4O/c1-18-11-5-3-8(12(16)13(11)17)7-2-4-9(14)10(15)6-7/h2-6H,1H3
InChIKeyVPUSSHOUMFSRAJ-UHFFFAOYSA-N
MW322.02 g/mol
LogP5.98
Rot. Bonds2

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

2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene (PubChem CID 86183687) has the molecular formula C13H8Cl4O and a molecular weight of 322.02 g/mol. Its IUPAC name is 2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene.

Molecular Properties

Compound Name2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene
PubChem CID86183687
Molecular FormulaC13H8Cl4O
Molecular Weight322.02 g/mol
Exact Mass319.93
IUPAC Name2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene
SMILESCOc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl4O/c1-18-11-5-3-8(12(16)13(11)17)7-2-4-9(14)10(15)6-7/h2-6H,1H3
InChIKeyVPUSSHOUMFSRAJ-UHFFFAOYSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.02
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene?
The IUPAC name of 2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene (CID 86183687) is 2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene.
What is the SMILES notation for 2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene?
The canonical SMILES for 2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene is COc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene?
The InChIKey is VPUSSHOUMFSRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4O/c1-18-11-5-3-8(12(16)13(11)17)7-2-4-9(14)10(15)6-7/h2-6H,1H3.
What are the key properties of 2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene?
2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene has a molecular weight of 322.02 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-(3,4-dichlorophenyl)-4-methoxybenzene is sourced from PubChem (CID 86183687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).