methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate

C11H14O4 — CID 62214123

IUPACmethyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
SMILESCCOc1ccc(C(O)C(=O)OC)cc1
InChIInChI=1S/C11H14O4/c1-3-15-9-6-4-8(5-7-9)10(12)11(13)14-2/h4-7,10,12H,3H2,1-2H3
InChIKeyCMHJFNACOFMKOS-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.29
Rot. Bonds4

About methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate

methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate (PubChem CID 62214123) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
PubChem CID62214123
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
SMILESCCOc1ccc(C(O)C(=O)OC)cc1
InChIInChI=1S/C11H14O4/c1-3-15-9-6-4-8(5-7-9)10(12)11(13)14-2/h4-7,10,12H,3H2,1-2H3
InChIKeyCMHJFNACOFMKOS-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate
CID 67575819
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate
CID 117328401
amino-(4-ethoxyphenyl)methanol
CID 116939610
2-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 152610342
methyl (3R)-3-amino-3-(4-ethoxyphenyl)propanoate;hydrochloride
CID 171246532
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
ethyl 2-[4-(3-bromopropoxy)phenyl]-2-hydroxyacetate
CID 22459007
methyl 4-amino-4-(4-ethoxyphenyl)butanoate
CID 60862003
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
CID 117321838
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate (CID 62214123) is methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate is CCOc1ccc(C(O)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate?
The InChIKey is CMHJFNACOFMKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-15-9-6-4-8(5-7-9)10(12)11(13)14-2/h4-7,10,12H,3H2,1-2H3.
What are the key properties of methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate?
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate has a molecular weight of 210.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 62214123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).