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

C13H8Cl4 — CID 134627246

IUPAC1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene
SMILESCc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl4/c1-7-2-8(4-9(14)3-7)10-5-12(16)13(17)6-11(10)15/h2-6H,1H3
InChIKeyYXTRZLGEPAVQJS-UHFFFAOYSA-N
MW306.02 g/mol
LogP6.28
Rot. Bonds1

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

1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene (PubChem CID 134627246) has the molecular formula C13H8Cl4 and a molecular weight of 306.02 g/mol. Its IUPAC name is 1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene
PubChem CID134627246
Molecular FormulaC13H8Cl4
Molecular Weight306.02 g/mol
Exact Mass303.94
IUPAC Name1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene
SMILESCc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl4/c1-7-2-8(4-9(14)3-7)10-5-12(16)13(17)6-11(10)15/h2-6H,1H3
InChIKeyYXTRZLGEPAVQJS-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.02
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene?
The IUPAC name of 1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene (CID 134627246) is 1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene.
What is the SMILES notation for 1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene?
The canonical SMILES for 1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene is Cc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene?
The InChIKey is YXTRZLGEPAVQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4/c1-7-2-8(4-9(14)3-7)10-5-12(16)13(17)6-11(10)15/h2-6H,1H3.
What are the key properties of 1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene?
1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene has a molecular weight of 306.02 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene is sourced from PubChem (CID 134627246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).