1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene

C13H9Cl3O — CID 118811160

IUPAC1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
SMILESCOc1cc(-c2cc(Cl)cc(Cl)c2)ccc1Cl
InChIInChI=1S/C13H9Cl3O/c1-17-13-6-8(2-3-12(13)16)9-4-10(14)7-11(15)5-9/h2-7H,1H3
InChIKeyWBZZIIFYSLBQOF-UHFFFAOYSA-N
MW287.57 g/mol
LogP5.32
Rot. Bonds2

About 1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene

1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene (PubChem CID 118811160) has the molecular formula C13H9Cl3O and a molecular weight of 287.57 g/mol. Its IUPAC name is 1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
PubChem CID118811160
Molecular FormulaC13H9Cl3O
Molecular Weight287.57 g/mol
Exact Mass285.97
IUPAC Name1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
SMILESCOc1cc(-c2cc(Cl)cc(Cl)c2)ccc1Cl
InChIInChI=1S/C13H9Cl3O/c1-17-13-6-8(2-3-12(13)16)9-4-10(14)7-11(15)5-9/h2-7H,1H3
InChIKeyWBZZIIFYSLBQOF-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-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene
CID 134627061
3-chloro-5-(3,4-dimethoxyphenyl)benzonitrile
CID 172993862
(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 105007027
5-(3-chloro-5-fluorophenyl)-2-methoxyphenol
CID 53220924
3-(4-chloro-3-methoxyphenyl)cyclohept-2-en-1-one
CID 107382719
4-(3-chlorophenyl)-2-methoxyaniline
CID 164513717
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
4-(4-chloro-3-methoxyphenyl)-1,2,3,6-tetrahydropyridine
CID 79712172
4-(4-chloro-3-methoxyphenyl)-3-fluoroaniline
CID 79711769
[3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine
CID 114076769

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene?
The IUPAC name of 1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene (CID 118811160) is 1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene?
The canonical SMILES for 1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene is COc1cc(-c2cc(Cl)cc(Cl)c2)ccc1Cl.
What is the InChIKey of 1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene?
The InChIKey is WBZZIIFYSLBQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3O/c1-17-13-6-8(2-3-12(13)16)9-4-10(14)7-11(15)5-9/h2-7H,1H3.
What are the key properties of 1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene?
1,3-dichloro-5-(4-chloro-3-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-5-(4-chloro-3-methoxyphenyl)benzene is sourced from PubChem (CID 118811160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).