1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene

C13H8Cl4O — CID 10381430

IUPAC1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene
SMILESCOc1cc(-c2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl
InChIInChI=1S/C13H8Cl4O/c1-18-13-5-8(10(15)6-12(13)17)7-2-3-9(14)11(16)4-7/h2-6H,1H3
InChIKeyBNJQMENODAXVGO-UHFFFAOYSA-N
MW322.02 g/mol
LogP5.98
Rot. Bonds2

About 1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene

1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene (PubChem CID 10381430) has the molecular formula C13H8Cl4O and a molecular weight of 322.02 g/mol. Its IUPAC name is 1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene.

Molecular Properties

Compound Name1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene
PubChem CID10381430
Molecular FormulaC13H8Cl4O
Molecular Weight322.02 g/mol
Exact Mass319.93
IUPAC Name1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene
SMILESCOc1cc(-c2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl
InChIInChI=1S/C13H8Cl4O/c1-18-13-5-8(10(15)6-12(13)17)7-2-3-9(14)11(16)4-7/h2-6H,1H3
InChIKeyBNJQMENODAXVGO-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 1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene?
The IUPAC name of 1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene (CID 10381430) is 1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene.
What is the SMILES notation for 1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene?
The canonical SMILES for 1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene is COc1cc(-c2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl.
What is the InChIKey of 1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene?
The InChIKey is BNJQMENODAXVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4O/c1-18-13-5-8(10(15)6-12(13)17)7-2-3-9(14)11(16)4-7/h2-6H,1H3.
What are the key properties of 1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene?
1,5-dichloro-2-(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 1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene is sourced from PubChem (CID 10381430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).