methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate

C12H13ClO6 — CID 5312098

IUPACmethyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
SMILESCOC(=O)COc1ccc(Cl)c(OCC(=O)OC)c1
InChIInChI=1S/C12H13ClO6/c1-16-11(14)6-18-8-3-4-9(13)10(5-8)19-7-12(15)17-2/h3-5H,6-7H2,1-2H3
InChIKeyPFBRCSRZBHAHKV-UHFFFAOYSA-N
MW288.68 g/mol
LogP1.44
Rot. Bonds6

About methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate

methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate (PubChem CID 5312098) has the molecular formula C12H13ClO6 and a molecular weight of 288.68 g/mol. Its IUPAC name is methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
PubChem CID5312098
Molecular FormulaC12H13ClO6
Molecular Weight288.68 g/mol
Exact Mass288.04
IUPAC Namemethyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
SMILESCOC(=O)COc1ccc(Cl)c(OCC(=O)OC)c1
InChIInChI=1S/C12H13ClO6/c1-16-11(14)6-18-8-3-4-9(13)10(5-8)19-7-12(15)17-2/h3-5H,6-7H2,1-2H3
InChIKeyPFBRCSRZBHAHKV-UHFFFAOYSA-N
XLogP1.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.68
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-amino-4-chlorophenoxy)acetate
CID 66717604
methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl 2-(3-chloro-4-sulfanylphenoxy)acetate
CID 57256589
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
ethyl 4-(2-chloro-5-methoxyphenoxy)-3-oxobutanoate
CID 86748689
methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
CID 86099194
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
The IUPAC name of methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate (CID 5312098) is methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate is COC(=O)COc1ccc(Cl)c(OCC(=O)OC)c1.
What is the InChIKey of methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
The InChIKey is PFBRCSRZBHAHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO6/c1-16-11(14)6-18-8-3-4-9(13)10(5-8)19-7-12(15)17-2/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate has a molecular weight of 288.68 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate is sourced from PubChem (CID 5312098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).