1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene

C14H6Cl8O — CID 175080432

IUPAC1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene
SMILESClc1cc(Cl)c(COCc2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C14H6Cl8O/c15-7-1-9(17)13(21)11(19)5(7)3-23-4-6-8(16)2-10(18)14(22)12(6)20/h1-2H,3-4H2
InChIKeyBPCAVCDQLSOMEN-UHFFFAOYSA-N
MW473.83 g/mol
LogP8.63
Rot. Bonds4

About 1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene

1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene (PubChem CID 175080432) has the molecular formula C14H6Cl8O and a molecular weight of 473.83 g/mol. Its IUPAC name is 1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene
PubChem CID175080432
Molecular FormulaC14H6Cl8O
Molecular Weight473.83 g/mol
Exact Mass469.79
IUPAC Name1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene
SMILESClc1cc(Cl)c(COCc2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C14H6Cl8O/c15-7-1-9(17)13(21)11(19)5(7)3-23-4-6-8(16)2-10(18)14(22)12(6)20/h1-2H,3-4H2
InChIKeyBPCAVCDQLSOMEN-UHFFFAOYSA-N
XLogP8.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.83
LogP ≤ 58.63
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-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene?
The IUPAC name of 1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene (CID 175080432) is 1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene.
What is the SMILES notation for 1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene?
The canonical SMILES for 1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene is Clc1cc(Cl)c(COCc2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene?
The InChIKey is BPCAVCDQLSOMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl8O/c15-7-1-9(17)13(21)11(19)5(7)3-23-4-6-8(16)2-10(18)14(22)12(6)20/h1-2H,3-4H2.
What are the key properties of 1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene?
1,2,3,5-tetrachloro-4-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene has a molecular weight of 473.83 g/mol, XLogP of 8.63, 4 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-[(2,3,4,6-tetrachlorophenyl)methoxymethyl]benzene is sourced from PubChem (CID 175080432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).