5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid

C16H12Cl2O6 — CID 25133992

IUPAC5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid
SMILESCOC(=O)c1cc(Cl)c(Oc2ccc(OC)c(C(=O)O)c2)c(Cl)c1
InChIInChI=1S/C16H12Cl2O6/c1-22-13-4-3-9(7-10(13)15(19)20)24-14-11(17)5-8(6-12(14)18)16(21)23-2/h3-7H,1-2H3,(H,19,20)
InChIKeyXXCFKXSVGNRCKR-UHFFFAOYSA-N
MW371.17 g/mol
LogP4.28
Rot. Bonds5

About 5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid

5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid (PubChem CID 25133992) has the molecular formula C16H12Cl2O6 and a molecular weight of 371.17 g/mol. Its IUPAC name is 5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid
PubChem CID25133992
Molecular FormulaC16H12Cl2O6
Molecular Weight371.17 g/mol
Exact Mass370.00
IUPAC Name5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid
SMILESCOC(=O)c1cc(Cl)c(Oc2ccc(OC)c(C(=O)O)c2)c(Cl)c1
InChIInChI=1S/C16H12Cl2O6/c1-22-13-4-3-9(7-10(13)15(19)20)24-14-11(17)5-8(6-12(14)18)16(21)23-2/h3-7H,1-2H3,(H,19,20)
InChIKeyXXCFKXSVGNRCKR-UHFFFAOYSA-N
XLogP4.28
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.17
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-carboxyphenoxy)-2-methoxybenzoic acid
CID 162997010
[5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone
CID 141114249
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate
CID 131879057
5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide
CID 162457633
methyl 4-(2-chloro-4-methoxyphenoxy)-3,5-diiodobenzoate
CID 15462368
5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-(oxolan-3-yl)benzamide
CID 166666185
5-amino-3-chloro-2-(4-methoxyphenoxy)benzoic acid
CID 107197281
methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
CID 170611745
2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
CID 107282511
2-methoxy-5-[4-(4-methylphenyl)sulfonylphenoxy]benzoic acid
CID 130396430
2-methoxy-5-propoxybenzoic acid
CID 82265622

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid?
The IUPAC name of 5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid (CID 25133992) is 5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid.
What is the SMILES notation for 5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid?
The canonical SMILES for 5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid is COC(=O)c1cc(Cl)c(Oc2ccc(OC)c(C(=O)O)c2)c(Cl)c1.
What is the InChIKey of 5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid?
The InChIKey is XXCFKXSVGNRCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O6/c1-22-13-4-3-9(7-10(13)15(19)20)24-14-11(17)5-8(6-12(14)18)16(21)23-2/h3-7H,1-2H3,(H,19,20).
What are the key properties of 5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid?
5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid has a molecular weight of 371.17 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid is sourced from PubChem (CID 25133992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).