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

C11H14O4 — CID 90066634

IUPACethyl 2-(3-hydroxy-5-methylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)cc(O)c1
InChIInChI=1S/C11H14O4/c1-3-14-11(13)7-15-10-5-8(2)4-9(12)6-10/h4-6,12H,3,7H2,1-2H3
InChIKeyFQSVBZHXZYHTII-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.64
Rot. Bonds4

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

ethyl 2-(3-hydroxy-5-methylphenoxy)acetate (PubChem CID 90066634) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-(3-hydroxy-5-methylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxy-5-methylphenoxy)acetate
PubChem CID90066634
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 2-(3-hydroxy-5-methylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)cc(O)c1
InChIInChI=1S/C11H14O4/c1-3-14-11(13)7-15-10-5-8(2)4-9(12)6-10/h4-6,12H,3,7H2,1-2H3
InChIKeyFQSVBZHXZYHTII-UHFFFAOYSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
2-(3-hydroxy-5-methylphenoxy)-N,N-dimethylacetamide
CID 19856163
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 4-(3,5-dimethylphenoxy)-3-oxobutanoate
CID 60643754
ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-formylphenoxy]acetate
CID 86184091
N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107680226
ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
CID 86038981
ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate
CID 168944648
N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107679875
ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate
CID 13400689
2-(3-hydroxy-5-methylphenoxy)-N-phenylacetamide
CID 107679862

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxy-5-methylphenoxy)acetate?
The IUPAC name of ethyl 2-(3-hydroxy-5-methylphenoxy)acetate (CID 90066634) is ethyl 2-(3-hydroxy-5-methylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(3-hydroxy-5-methylphenoxy)acetate?
The canonical SMILES for ethyl 2-(3-hydroxy-5-methylphenoxy)acetate is CCOC(=O)COc1cc(C)cc(O)c1.
What is the InChIKey of ethyl 2-(3-hydroxy-5-methylphenoxy)acetate?
The InChIKey is FQSVBZHXZYHTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-14-11(13)7-15-10-5-8(2)4-9(12)6-10/h4-6,12H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(3-hydroxy-5-methylphenoxy)acetate?
ethyl 2-(3-hydroxy-5-methylphenoxy)acetate has a molecular weight of 210.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxy-5-methylphenoxy)acetate is sourced from PubChem (CID 90066634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).