ethyl 2-(3-methoxy-5-methylphenoxy)acetate

C12H16O4 — CID 59177445

IUPACethyl 2-(3-methoxy-5-methylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)cc(OC)c1
InChIInChI=1S/C12H16O4/c1-4-15-12(13)8-16-11-6-9(2)5-10(7-11)14-3/h5-7H,4,8H2,1-3H3
InChIKeyRXIYVNKPIZWYGN-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.95
Rot. Bonds5

About ethyl 2-(3-methoxy-5-methylphenoxy)acetate

ethyl 2-(3-methoxy-5-methylphenoxy)acetate (PubChem CID 59177445) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-(3-methoxy-5-methylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methoxy-5-methylphenoxy)acetate
PubChem CID59177445
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl 2-(3-methoxy-5-methylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)cc(OC)c1
InChIInChI=1S/C12H16O4/c1-4-15-12(13)8-16-11-6-9(2)5-10(7-11)14-3/h5-7H,4,8H2,1-3H3
InChIKeyRXIYVNKPIZWYGN-UHFFFAOYSA-N
XLogP1.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate
CID 8753296
ethyl 2-(3-hydroxy-5-methylphenoxy)acetate
CID 90066634
2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388
ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-formylphenoxy]acetate
CID 86184091
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 4-(3,5-dimethylphenoxy)-3-oxobutanoate
CID 60643754
ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate
CID 168944648
ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate
CID 142476777
1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxy-5-methylphenoxy)acetate?
The IUPAC name of ethyl 2-(3-methoxy-5-methylphenoxy)acetate (CID 59177445) is ethyl 2-(3-methoxy-5-methylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(3-methoxy-5-methylphenoxy)acetate?
The canonical SMILES for ethyl 2-(3-methoxy-5-methylphenoxy)acetate is CCOC(=O)COc1cc(C)cc(OC)c1.
What is the InChIKey of ethyl 2-(3-methoxy-5-methylphenoxy)acetate?
The InChIKey is RXIYVNKPIZWYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-15-12(13)8-16-11-6-9(2)5-10(7-11)14-3/h5-7H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(3-methoxy-5-methylphenoxy)acetate?
ethyl 2-(3-methoxy-5-methylphenoxy)acetate has a molecular weight of 224.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxy-5-methylphenoxy)acetate is sourced from PubChem (CID 59177445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).