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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Related Compounds

CID 69505
CID 69505
CID 67284
CID 67284
CID 12462
CID 12462
CID 96038
CID 96038
CID 16251
CID 16251
CID 97641
CID 97641
CID 276280
CID 276280
CID 298133
CID 298133
CID 68597137
CID 68597137
CID 88563
CID 88563
CID 97686
CID 97686
CID 12445134
CID 12445134

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).