1,2,3,5-tetrachloro-4-methoxybenzene

C7H4Cl4O — CID 13647

IUPAC1,2,3,5-tetrachloro-4-methoxybenzene
SMILESCOc1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C7H4Cl4O/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3
InChIKeyITXDBGLYYSJNPK-UHFFFAOYSA-N
MW245.92 g/mol
LogP4.31
Rot. Bonds1

About 1,2,3,5-tetrachloro-4-methoxybenzene

1,2,3,5-tetrachloro-4-methoxybenzene (PubChem CID 13647) has the molecular formula C7H4Cl4O and a molecular weight of 245.92 g/mol. Its IUPAC name is 1,2,3,5-tetrachloro-4-methoxybenzene.

Molecular Properties

Compound Name1,2,3,5-tetrachloro-4-methoxybenzene
PubChem CID13647
Molecular FormulaC7H4Cl4O
Molecular Weight245.92 g/mol
Exact Mass243.90
IUPAC Name1,2,3,5-tetrachloro-4-methoxybenzene
SMILESCOc1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C7H4Cl4O/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3
InChIKeyITXDBGLYYSJNPK-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.92
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrachloro-4-methoxybenzene?
The IUPAC name of 1,2,3,5-tetrachloro-4-methoxybenzene (CID 13647) is 1,2,3,5-tetrachloro-4-methoxybenzene.
What is the SMILES notation for 1,2,3,5-tetrachloro-4-methoxybenzene?
The canonical SMILES for 1,2,3,5-tetrachloro-4-methoxybenzene is COc1c(Cl)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,5-tetrachloro-4-methoxybenzene?
The InChIKey is ITXDBGLYYSJNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl4O/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3.
What are the key properties of 1,2,3,5-tetrachloro-4-methoxybenzene?
1,2,3,5-tetrachloro-4-methoxybenzene has a molecular weight of 245.92 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrachloro-4-methoxybenzene is sourced from PubChem (CID 13647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).