2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene

C13H9Cl3O — CID 70266325

IUPAC2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
SMILESCOc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl3O/c1-17-13-7-9(15)3-5-11(13)10-4-2-8(14)6-12(10)16/h2-7H,1H3
InChIKeyDJOULLKBJIVOGT-UHFFFAOYSA-N
MW287.57 g/mol
LogP5.32
Rot. Bonds2

About 2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene

2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene (PubChem CID 70266325) has the molecular formula C13H9Cl3O and a molecular weight of 287.57 g/mol. Its IUPAC name is 2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
PubChem CID70266325
Molecular FormulaC13H9Cl3O
Molecular Weight287.57 g/mol
Exact Mass285.97
IUPAC Name2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
SMILESCOc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl3O/c1-17-13-7-9(15)3-5-11(13)10-4-2-8(14)6-12(10)16/h2-7H,1H3
InChIKeyDJOULLKBJIVOGT-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene
CID 146321762
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
CID 69117451
4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
4-(4-chloro-2-methoxyphenyl)pyridin-1-ium
CID 143833713
2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633197
3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene
CID 156561283
5-chloro-3-(2,4-dichlorophenyl)-2-methoxypyridine
CID 133088213
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene?
The IUPAC name of 2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene (CID 70266325) is 2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene is COc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene?
The InChIKey is DJOULLKBJIVOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3O/c1-17-13-7-9(15)3-5-11(13)10-4-2-8(14)6-12(10)16/h2-7H,1H3.
What are the key properties of 2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene?
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene has a molecular weight of 287.57 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene is sourced from PubChem (CID 70266325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).