1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene

C13H8Cl4O — CID 134628384

IUPAC1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl4O/c1-18-8-2-3-9(10(15)6-8)13-11(16)4-7(14)5-12(13)17/h2-6H,1H3
InChIKeyDBOGUXIRAXSRFT-UHFFFAOYSA-N
MW322.02 g/mol
LogP5.98
Rot. Bonds2

About 1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene

1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene (PubChem CID 134628384) has the molecular formula C13H8Cl4O and a molecular weight of 322.02 g/mol. Its IUPAC name is 1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
PubChem CID134628384
Molecular FormulaC13H8Cl4O
Molecular Weight322.02 g/mol
Exact Mass319.93
IUPAC Name1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl4O/c1-18-8-2-3-9(10(15)6-8)13-11(16)4-7(14)5-12(13)17/h2-6H,1H3
InChIKeyDBOGUXIRAXSRFT-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

Analyze 1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
1,3,5-trichloro-2-[2-chloro-4-(difluoromethoxy)phenyl]benzene
CID 134627689
1,3,5-trichloro-2-[2-(difluoromethyl)-5-methoxyphenyl]benzene
CID 118831917
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
4-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 4998959
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
CID 119001731
2-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 116868424
sodium 2-chloro-4-methoxyphenolate
CID 23710122
2-(2-chloro-4-methoxyphenyl)-3-methylpyridine
CID 42624977
2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine
CID 170925653
1,2,3,4,5-pentachloro-6-[2-(difluoromethyl)-4-methoxyphenyl]benzene
CID 134617265

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene?
The IUPAC name of 1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene (CID 134628384) is 1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene.
What is the SMILES notation for 1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene?
The canonical SMILES for 1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene is COc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene?
The InChIKey is DBOGUXIRAXSRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4O/c1-18-8-2-3-9(10(15)6-8)13-11(16)4-7(14)5-12(13)17/h2-6H,1H3.
What are the key properties of 1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene?
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene 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 1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene is sourced from PubChem (CID 134628384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).