1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene

C13H9Cl3O — CID 119018458

IUPAC1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3O/c1-17-8-5-6-9(12(16)7-8)13-10(14)3-2-4-11(13)15/h2-7H,1H3
InChIKeyCHRQYZHTRZRPCN-UHFFFAOYSA-N
MW287.57 g/mol
LogP5.32
Rot. Bonds2

About 1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene

1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene (PubChem CID 119018458) has the molecular formula C13H9Cl3O and a molecular weight of 287.57 g/mol. Its IUPAC name is 1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
PubChem CID119018458
Molecular FormulaC13H9Cl3O
Molecular Weight287.57 g/mol
Exact Mass285.97
IUPAC Name1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3O/c1-17-8-5-6-9(12(16)7-8)13-10(14)3-2-4-11(13)15/h2-7H,1H3
InChIKeyCHRQYZHTRZRPCN-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

1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
CID 146431475
1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
CID 119001731
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
2-(2-chloro-4-methoxyphenyl)-3-methylpyridine
CID 42624977
3-chloro-2-(4-methoxyphenyl)phenol
CID 101453528
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene
CID 119003875
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
2-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 116868424
4-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 4998959

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene?
The IUPAC name of 1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene (CID 119018458) is 1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene is COc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene?
The InChIKey is CHRQYZHTRZRPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3O/c1-17-8-5-6-9(12(16)7-8)13-10(14)3-2-4-11(13)15/h2-7H,1H3.
What are the key properties of 1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene?
1,3-dichloro-2-(2-chloro-4-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 1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene is sourced from PubChem (CID 119018458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).