[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

C19H19ClO6 — CID 7628185

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C19H19ClO6/c1-12-8-13(20)4-6-17(12)25-11-19(22)26-10-16(21)15-9-14(23-2)5-7-18(15)24-3/h4-9H,10-11H2,1-3H3
InChIKeyXGUMWLPONOTGLD-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.47
Rot. Bonds8

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 7628185) has the molecular formula C19H19ClO6 and a molecular weight of 378.81 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID7628185
Molecular FormulaC19H19ClO6
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C19H19ClO6/c1-12-8-13(20)4-6-17(12)25-11-19(22)26-10-16(21)15-9-14(23-2)5-7-18(15)24-3/h4-9H,10-11H2,1-3H3
InChIKeyXGUMWLPONOTGLD-UHFFFAOYSA-N
XLogP3.47
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 23988457
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701600
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318517
[amino-(4-methoxyphenyl)methylidene]-[2-(4-chloro-2-methylphenoxy)acetyl]oxyazanium
CID 3446606
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
[2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 55314951
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021109
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625071
(5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 7779381

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (CID 7628185) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is COc1ccc(OC)c(C(=O)COC(=O)COc2ccc(Cl)cc2C)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is XGUMWLPONOTGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO6/c1-12-8-13(20)4-6-17(12)25-11-19(22)26-10-16(21)15-9-14(23-2)5-7-18(15)24-3/h4-9H,10-11H2,1-3H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 378.81 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 7628185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).