benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate

C24H21Cl2NO6 — CID 24960331

IUPACbenzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)OCc2ccccc2)c1OC
InChIInChI=1S/C24H21Cl2NO6/c1-30-21-9-8-16(20(28)10-17-18(25)11-27-12-19(17)26)23(24(21)31-2)33-14-22(29)32-13-15-6-4-3-5-7-15/h3-9,11-12H,10,13-14H2,1-2H3
InChIKeyUOQJISLMCFWFNY-UHFFFAOYSA-N
MW490.34 g/mol
LogP4.95
Rot. Bonds10

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

benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate (PubChem CID 24960331) has the molecular formula C24H21Cl2NO6 and a molecular weight of 490.34 g/mol. Its IUPAC name is benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate.

Molecular Properties

Compound Namebenzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
PubChem CID24960331
Molecular FormulaC24H21Cl2NO6
Molecular Weight490.34 g/mol
Exact Mass489.07
IUPAC Namebenzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)OCc2ccccc2)c1OC
InChIInChI=1S/C24H21Cl2NO6/c1-30-21-9-8-16(20(28)10-17-18(25)11-27-12-19(17)26)23(24(21)31-2)33-14-22(29)32-13-15-6-4-3-5-7-15/h3-9,11-12H,10,13-14H2,1-2H3
InChIKeyUOQJISLMCFWFNY-UHFFFAOYSA-N
XLogP4.95
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960688
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone
CID 24962513
methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate
CID 24961786
2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-prop-2-enoxyphenyl)ethanone
CID 24959221
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
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
CID 91446208
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone
CID 67149115
2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone
CID 142942613
(3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate
CID 18275421
benzyl 2-(2,4,5-trichlorophenoxy)acetate
CID 71395919

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate?
The IUPAC name of benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate (CID 24960331) is benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate.
What is the SMILES notation for benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate?
The canonical SMILES for benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)OCc2ccccc2)c1OC.
What is the InChIKey of benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate?
The InChIKey is UOQJISLMCFWFNY-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)23(24(21)31-2)33-14-22(29)32-13-15-6-4-3-5-7-15/h3-9,11-12H,10,13-14H2,1-2H3.
What are the key properties of benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate?
benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate has a molecular weight of 490.34 g/mol, XLogP of 4.95, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate is sourced from PubChem (CID 24960331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).