1,2,4-trichloro-3,5-dimethylbenzene

C8H7Cl3 — CID 20692462

IUPAC1,2,4-trichloro-3,5-dimethylbenzene
SMILESCc1cc(Cl)c(Cl)c(C)c1Cl
InChIInChI=1S/C8H7Cl3/c1-4-3-6(9)8(11)5(2)7(4)10/h3H,1-2H3
InChIKeyGNXXUAVVYGSBPW-UHFFFAOYSA-N
MW209.50 g/mol
LogP4.26
Rot. Bonds

About 1,2,4-trichloro-3,5-dimethylbenzene

1,2,4-trichloro-3,5-dimethylbenzene (PubChem CID 20692462) has the molecular formula C8H7Cl3 and a molecular weight of 209.50 g/mol. Its IUPAC name is 1,2,4-trichloro-3,5-dimethylbenzene.

Molecular Properties

Compound Name1,2,4-trichloro-3,5-dimethylbenzene
PubChem CID20692462
Molecular FormulaC8H7Cl3
Molecular Weight209.50 g/mol
Exact Mass207.96
IUPAC Name1,2,4-trichloro-3,5-dimethylbenzene
SMILESCc1cc(Cl)c(Cl)c(C)c1Cl
InChIInChI=1S/C8H7Cl3/c1-4-3-6(9)8(11)5(2)7(4)10/h3H,1-2H3
InChIKeyGNXXUAVVYGSBPW-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.50
LogP ≤ 54.26
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-3,5-dimethylbenzene?
The IUPAC name of 1,2,4-trichloro-3,5-dimethylbenzene (CID 20692462) is 1,2,4-trichloro-3,5-dimethylbenzene.
What is the SMILES notation for 1,2,4-trichloro-3,5-dimethylbenzene?
The canonical SMILES for 1,2,4-trichloro-3,5-dimethylbenzene is Cc1cc(Cl)c(Cl)c(C)c1Cl.
What is the InChIKey of 1,2,4-trichloro-3,5-dimethylbenzene?
The InChIKey is GNXXUAVVYGSBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3/c1-4-3-6(9)8(11)5(2)7(4)10/h3H,1-2H3.
What are the key properties of 1,2,4-trichloro-3,5-dimethylbenzene?
1,2,4-trichloro-3,5-dimethylbenzene has a molecular weight of 209.50 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-3,5-dimethylbenzene is sourced from PubChem (CID 20692462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).