1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene

C15H6Cl10O2 — CID 18927775

IUPAC1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene
SMILESCOC(OC)(c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H6Cl10O2/c1-26-15(27-2,3-5(16)9(20)13(24)10(21)6(3)17)4-7(18)11(22)14(25)12(23)8(4)19/h1-2H3
InChIKeyRMXMRAWBYAOWQF-UHFFFAOYSA-N
MW572.74 g/mol
LogP9.71
Rot. Bonds4

About 1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene

1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene (PubChem CID 18927775) has the molecular formula C15H6Cl10O2 and a molecular weight of 572.74 g/mol. Its IUPAC name is 1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene
PubChem CID18927775
Molecular FormulaC15H6Cl10O2
Molecular Weight572.74 g/mol
Exact Mass567.73
IUPAC Name1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene
SMILESCOC(OC)(c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H6Cl10O2/c1-26-15(27-2,3-5(16)9(20)13(24)10(21)6(3)17)4-7(18)11(22)14(25)12(23)8(4)19/h1-2H3
InChIKeyRMXMRAWBYAOWQF-UHFFFAOYSA-N
XLogP9.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.74
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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 1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene?
The IUPAC name of 1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene (CID 18927775) is 1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene is COC(OC)(c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene?
The InChIKey is RMXMRAWBYAOWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl10O2/c1-26-15(27-2,3-5(16)9(20)13(24)10(21)6(3)17)4-7(18)11(22)14(25)12(23)8(4)19/h1-2H3.
What are the key properties of 1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene?
1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene has a molecular weight of 572.74 g/mol, XLogP of 9.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentachloro-6-[dimethoxy-(2,3,4,5,6-pentachlorophenyl)methyl]benzene is sourced from PubChem (CID 18927775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).