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

C12H14O6 — CID 6420588

IUPACmethyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
SMILESCOC(=O)COc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C12H14O6/c1-15-11(13)7-17-9-4-3-5-10(6-9)18-8-12(14)16-2/h3-6H,7-8H2,1-2H3
InChIKeyKAHBIVCYPVPCCM-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.79
Rot. Bonds6

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

methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate (PubChem CID 6420588) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
PubChem CID6420588
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Namemethyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
SMILESCOC(=O)COc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C12H14O6/c1-15-11(13)7-17-9-4-3-5-10(6-9)18-8-12(14)16-2/h3-6H,7-8H2,1-2H3
InChIKeyKAHBIVCYPVPCCM-UHFFFAOYSA-N
XLogP0.79
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-acetyloxyphenoxy)acetate
CID 20717761
methyl 2-[3-[[3-(2-methoxy-2-oxoethoxy)phenyl]disulfanyl]phenoxy]acetate
CID 171804931
methyl 2-(3-phosphorosophenoxy)acetate
CID 118226316
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918
methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate
CID 14995071
methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate
CID 139707056
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 21029862
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate (CID 6420588) is methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate is COC(=O)COc1cccc(OCC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
The InChIKey is KAHBIVCYPVPCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c1-15-11(13)7-17-9-4-3-5-10(6-9)18-8-12(14)16-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate has a molecular weight of 254.24 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate is sourced from PubChem (CID 6420588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).