methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate

C24H21Cl2NO6 — CID 24961786

IUPACmethyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2c(C(=O)Cc3c(Cl)cncc3Cl)ccc(OC)c2OC)cc1
InChIInChI=1S/C24H21Cl2NO6/c1-30-21-9-8-16(20(28)10-17-18(25)11-27-12-19(17)26)22(23(21)31-2)33-13-14-4-6-15(7-5-14)24(29)32-3/h4-9,11-12H,10,13H2,1-3H3
InChIKeyDOMKXMBAWZRPQL-UHFFFAOYSA-N
MW490.34 g/mol
LogP5.20
Rot. Bonds9

About methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate

methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate (PubChem CID 24961786) has the molecular formula C24H21Cl2NO6 and a molecular weight of 490.34 g/mol. Its IUPAC name is methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate
PubChem CID24961786
Molecular FormulaC24H21Cl2NO6
Molecular Weight490.34 g/mol
Exact Mass489.07
IUPAC Namemethyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2c(C(=O)Cc3c(Cl)cncc3Cl)ccc(OC)c2OC)cc1
InChIInChI=1S/C24H21Cl2NO6/c1-30-21-9-8-16(20(28)10-17-18(25)11-27-12-19(17)26)22(23(21)31-2)33-13-14-4-6-15(7-5-14)24(29)32-3/h4-9,11-12H,10,13H2,1-3H3
InChIKeyDOMKXMBAWZRPQL-UHFFFAOYSA-N
XLogP5.20
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.34
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate with MolForge

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Related Compounds

2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone
CID 24962513
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-(3-methylbutoxy)phenyl]ethanone
CID 24960690
2-(3,5-dichloro-4-pyridinyl)-1-(2-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 24829338
propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960688
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 67031111
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
CID 91446208
2-(3,5-dichloro-4-pyridinyl)-1-(2,2-diethyl-7-methoxy-1,3-benzodioxol-4-yl)ethanone
CID 143213221
2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone
CID 67149115
3,5-dichloro-4-methylpyridine;2-(3,5-dichloro-4-pyridinyl)-1-(6'-methoxyspiro[1,3-dioxane-5,3'-2,4-dihydro-1,5-benzodioxepine]-9'-yl)ethanone;methyl 6'-methoxyspiro[1,3-dioxane-5,3'-2,4-dihydro-1,5-benzodioxepine]-9'-carboxylate
CID 158154664
methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682617
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate (CID 24961786) is methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate is COC(=O)c1ccc(COc2c(C(=O)Cc3c(Cl)cncc3Cl)ccc(OC)c2OC)cc1.
What is the InChIKey of methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate?
The InChIKey is DOMKXMBAWZRPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO6/c1-30-21-9-8-16(20(28)10-17-18(25)11-27-12-19(17)26)22(23(21)31-2)33-13-14-4-6-15(7-5-14)24(29)32-3/h4-9,11-12H,10,13H2,1-3H3.
What are the key properties of methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate?
methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate has a molecular weight of 490.34 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate is sourced from PubChem (CID 24961786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).