1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene

C14H8Cl6O3 — CID 88847512

IUPAC1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene
SMILESClc1ccc(OCOCOc2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C14H8Cl6O3/c15-7-1-3-9(13(19)11(7)17)22-5-21-6-23-10-4-2-8(16)12(18)14(10)20/h1-4H,5-6H2
InChIKeyFNRSCLLYKWBYGQ-UHFFFAOYSA-N
MW436.93 g/mol
LogP7.00
Rot. Bonds6

About 1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene

1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene (PubChem CID 88847512) has the molecular formula C14H8Cl6O3 and a molecular weight of 436.93 g/mol. Its IUPAC name is 1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene.

Molecular Properties

Compound Name1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene
PubChem CID88847512
Molecular FormulaC14H8Cl6O3
Molecular Weight436.93 g/mol
Exact Mass433.86
IUPAC Name1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene
SMILESClc1ccc(OCOCOc2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C14H8Cl6O3/c15-7-1-3-9(13(19)11(7)17)22-5-21-6-23-10-4-2-8(16)12(18)14(10)20/h1-4H,5-6H2
InChIKeyFNRSCLLYKWBYGQ-UHFFFAOYSA-N
XLogP7.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.93
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene?
The IUPAC name of 1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene (CID 88847512) is 1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene.
What is the SMILES notation for 1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene?
The canonical SMILES for 1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene is Clc1ccc(OCOCOc2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene?
The InChIKey is FNRSCLLYKWBYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl6O3/c15-7-1-3-9(13(19)11(7)17)22-5-21-6-23-10-4-2-8(16)12(18)14(10)20/h1-4H,5-6H2.
What are the key properties of 1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene?
1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene has a molecular weight of 436.93 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-4-[(2,3,4-trichlorophenoxy)methoxymethoxy]benzene is sourced from PubChem (CID 88847512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).