methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate

C16H10Cl4O4 — CID 2818076

IUPACmethyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
SMILESCOC(=O)c1cc(Cl)cc(Cl)c1-c1c(Cl)cc(Cl)cc1C(=O)OC
InChIInChI=1S/C16H10Cl4O4/c1-23-15(21)9-3-7(17)5-11(19)13(9)14-10(16(22)24-2)4-8(18)6-12(14)20/h3-6H,1-2H3
InChIKeyWNUIUASUOMIYIA-UHFFFAOYSA-N
MW408.06 g/mol
LogP5.54
Rot. Bonds3

About methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate

methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate (PubChem CID 2818076) has the molecular formula C16H10Cl4O4 and a molecular weight of 408.06 g/mol. Its IUPAC name is methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
PubChem CID2818076
Molecular FormulaC16H10Cl4O4
Molecular Weight408.06 g/mol
Exact Mass405.93
IUPAC Namemethyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
SMILESCOC(=O)c1cc(Cl)cc(Cl)c1-c1c(Cl)cc(Cl)cc1C(=O)OC
InChIInChI=1S/C16H10Cl4O4/c1-23-15(21)9-3-7(17)5-11(19)13(9)14-10(16(22)24-2)4-8(18)6-12(14)20/h3-6H,1-2H3
InChIKeyWNUIUASUOMIYIA-UHFFFAOYSA-N
XLogP5.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.06
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636206
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641
methyl 3,5-dichloro-2-(2-methylpropylamino)benzoate
CID 18803992
methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
methyl 5-chloro-2-methyl-3-nitrosobenzoate
CID 123722314
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636
methyl 5-chloro-2-fluoro-3-methylsulfanylbenzoate
CID 164892417
methyl 5-chloro-2-isocyanobenzoate
CID 2769510
methyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436756
methyl 2-acetyl-5-chloro-3-methoxybenzoate
CID 169313792

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate?
The IUPAC name of methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate (CID 2818076) is methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate.
What is the SMILES notation for methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate?
The canonical SMILES for methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate is COC(=O)c1cc(Cl)cc(Cl)c1-c1c(Cl)cc(Cl)cc1C(=O)OC.
What is the InChIKey of methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate?
The InChIKey is WNUIUASUOMIYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl4O4/c1-23-15(21)9-3-7(17)5-11(19)13(9)14-10(16(22)24-2)4-8(18)6-12(14)20/h3-6H,1-2H3.
What are the key properties of methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate?
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate has a molecular weight of 408.06 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate is sourced from PubChem (CID 2818076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).