1,2,4,5-tetrakis(chloromethoxy)benzene

C10H10Cl4O4 — CID 141049013

IUPAC1,2,4,5-tetrakis(chloromethoxy)benzene
SMILESClCOc1cc(OCCl)c(OCCl)cc1OCCl
InChIInChI=1S/C10H10Cl4O4/c11-3-15-7-1-8(16-4-12)10(18-6-14)2-9(7)17-5-13/h1-2H,3-6H2
InChIKeyRNIOZQXSZQZKPG-UHFFFAOYSA-N
MW336.00 g/mol
LogP3.99
Rot. Bonds8

About 1,2,4,5-tetrakis(chloromethoxy)benzene

1,2,4,5-tetrakis(chloromethoxy)benzene (PubChem CID 141049013) has the molecular formula C10H10Cl4O4 and a molecular weight of 336.00 g/mol. Its IUPAC name is 1,2,4,5-tetrakis(chloromethoxy)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrakis(chloromethoxy)benzene
PubChem CID141049013
Molecular FormulaC10H10Cl4O4
Molecular Weight336.00 g/mol
Exact Mass333.93
IUPAC Name1,2,4,5-tetrakis(chloromethoxy)benzene
SMILESClCOc1cc(OCCl)c(OCCl)cc1OCCl
InChIInChI=1S/C10H10Cl4O4/c11-3-15-7-1-8(16-4-12)10(18-6-14)2-9(7)17-5-13/h1-2H,3-6H2
InChIKeyRNIOZQXSZQZKPG-UHFFFAOYSA-N
XLogP3.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.00
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrakis(chloromethoxy)benzene?
The IUPAC name of 1,2,4,5-tetrakis(chloromethoxy)benzene (CID 141049013) is 1,2,4,5-tetrakis(chloromethoxy)benzene.
What is the SMILES notation for 1,2,4,5-tetrakis(chloromethoxy)benzene?
The canonical SMILES for 1,2,4,5-tetrakis(chloromethoxy)benzene is ClCOc1cc(OCCl)c(OCCl)cc1OCCl.
What is the InChIKey of 1,2,4,5-tetrakis(chloromethoxy)benzene?
The InChIKey is RNIOZQXSZQZKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl4O4/c11-3-15-7-1-8(16-4-12)10(18-6-14)2-9(7)17-5-13/h1-2H,3-6H2.
What are the key properties of 1,2,4,5-tetrakis(chloromethoxy)benzene?
1,2,4,5-tetrakis(chloromethoxy)benzene has a molecular weight of 336.00 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrakis(chloromethoxy)benzene is sourced from PubChem (CID 141049013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).