1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene

C9H9Cl3O — CID 617275

IUPAC1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene
SMILESCOc1c(Cl)c(C)c(Cl)c(C)c1Cl
InChIInChI=1S/C9H9Cl3O/c1-4-6(10)5(2)8(12)9(13-3)7(4)11/h1-3H3
InChIKeyDMZXKTABWAXCIT-UHFFFAOYSA-N
MW239.53 g/mol
LogP4.27
Rot. Bonds1

About 1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene

1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene (PubChem CID 617275) has the molecular formula C9H9Cl3O and a molecular weight of 239.53 g/mol. Its IUPAC name is 1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene
PubChem CID617275
Molecular FormulaC9H9Cl3O
Molecular Weight239.53 g/mol
Exact Mass237.97
IUPAC Name1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene
SMILESCOc1c(Cl)c(C)c(Cl)c(C)c1Cl
InChIInChI=1S/C9H9Cl3O/c1-4-6(10)5(2)8(12)9(13-3)7(4)11/h1-3H3
InChIKeyDMZXKTABWAXCIT-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene?
The IUPAC name of 1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene (CID 617275) is 1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene.
What is the SMILES notation for 1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene?
The canonical SMILES for 1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene is COc1c(Cl)c(C)c(Cl)c(C)c1Cl.
What is the InChIKey of 1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene?
The InChIKey is DMZXKTABWAXCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3O/c1-4-6(10)5(2)8(12)9(13-3)7(4)11/h1-3H3.
What are the key properties of 1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene?
1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene has a molecular weight of 239.53 g/mol, XLogP of 4.27, 1 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-methoxy-4,6-dimethylbenzene is sourced from PubChem (CID 617275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).