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

C13H7Cl5O — CID 86183672

IUPAC1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene
SMILESCOc1c(Cl)c(Cl)cc(-c2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C13H7Cl5O/c1-19-13-11(17)7(5-10(16)12(13)18)6-2-3-8(14)9(15)4-6/h2-5H,1H3
InChIKeyJHESGKURHZRSLR-UHFFFAOYSA-N
MW356.46 g/mol
LogP6.63
Rot. Bonds2

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

1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene (PubChem CID 86183672) has the molecular formula C13H7Cl5O and a molecular weight of 356.46 g/mol. Its IUPAC name is 1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene
PubChem CID86183672
Molecular FormulaC13H7Cl5O
Molecular Weight356.46 g/mol
Exact Mass353.89
IUPAC Name1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene
SMILESCOc1c(Cl)c(Cl)cc(-c2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C13H7Cl5O/c1-19-13-11(17)7(5-10(16)12(13)18)6-2-3-8(14)9(15)4-6/h2-5H,1H3
InChIKeyJHESGKURHZRSLR-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene
CID 10381430
1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene
CID 134627061
1,2-dichloro-4-(5-ethynyl-2-methoxyphenyl)benzene
CID 172879733
3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine
CID 133090437
3-(3,4-dichlorophenyl)-6-methoxypyridazine
CID 12833133
[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 112749101
1,2,3-trichloro-5-(3-fluoro-2-methoxyphenyl)benzene
CID 134626763
2-(3,4-dichlorophenyl)-5-methoxypyrimidine
CID 118808074
3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine
CID 122233245
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
3-(3,4-dichlorophenyl)-4-ethoxy-5-methoxybenzoic acid
CID 16768705
acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene
CID 175402052

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene?
The IUPAC name of 1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene (CID 86183672) is 1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene.
What is the SMILES notation for 1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene?
The canonical SMILES for 1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene is COc1c(Cl)c(Cl)cc(-c2ccc(Cl)c(Cl)c2)c1Cl.
What is the InChIKey of 1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene?
The InChIKey is JHESGKURHZRSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl5O/c1-19-13-11(17)7(5-10(16)12(13)18)6-2-3-8(14)9(15)4-6/h2-5H,1H3.
What are the key properties of 1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene?
1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene has a molecular weight of 356.46 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene is sourced from PubChem (CID 86183672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).