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

C20H21Cl2NO6 — CID 24960688

IUPACpropan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)OC(C)C)c1OC
InChIInChI=1S/C20H21Cl2NO6/c1-11(2)29-18(25)10-28-19-12(5-6-17(26-3)20(19)27-4)16(24)7-13-14(21)8-23-9-15(13)22/h5-6,8-9,11H,7,10H2,1-4H3
InChIKeyDCGLZDSPQPEEPI-UHFFFAOYSA-N
MW442.30 g/mol
LogP4.16
Rot. Bonds9

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

propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate (PubChem CID 24960688) has the molecular formula C20H21Cl2NO6 and a molecular weight of 442.30 g/mol. Its IUPAC name is propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
PubChem CID24960688
Molecular FormulaC20H21Cl2NO6
Molecular Weight442.30 g/mol
Exact Mass441.07
IUPAC Namepropan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)OC(C)C)c1OC
InChIInChI=1S/C20H21Cl2NO6/c1-11(2)29-18(25)10-28-19-12(5-6-17(26-3)20(19)27-4)16(24)7-13-14(21)8-23-9-15(13)22/h5-6,8-9,11H,7,10H2,1-4H3
InChIKeyDCGLZDSPQPEEPI-UHFFFAOYSA-N
XLogP4.16
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-(3-methylbutoxy)phenyl]ethanone
CID 24960690
benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960331
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-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone
CID 24962513
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 67031111
2-(3,5-dichloro-4-pyridinyl)-1-(2-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 24829338
methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate
CID 24961786
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
2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone
CID 142942613
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate?
The IUPAC name of propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate (CID 24960688) is propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)OC(C)C)c1OC.
What is the InChIKey of propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate?
The InChIKey is DCGLZDSPQPEEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO6/c1-11(2)29-18(25)10-28-19-12(5-6-17(26-3)20(19)27-4)16(24)7-13-14(21)8-23-9-15(13)22/h5-6,8-9,11H,7,10H2,1-4H3.
What are the key properties of propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate?
propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate has a molecular weight of 442.30 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate is sourced from PubChem (CID 24960688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).