methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate

C11H13FO4 — CID 117328401

IUPACmethyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate
SMILESCCOc1ccc(C(O)C(=O)OC)c(F)c1
InChIInChI=1S/C11H13FO4/c1-3-16-7-4-5-8(9(12)6-7)10(13)11(14)15-2/h4-6,10,13H,3H2,1-2H3
InChIKeyUGXOCLCAVZVOJA-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.43
Rot. Bonds4

About methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate

methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate (PubChem CID 117328401) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate
PubChem CID117328401
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Namemethyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate
SMILESCCOc1ccc(C(O)C(=O)OC)c(F)c1
InChIInChI=1S/C11H13FO4/c1-3-16-7-4-5-8(9(12)6-7)10(13)11(14)15-2/h4-6,10,13H,3H2,1-2H3
InChIKeyUGXOCLCAVZVOJA-UHFFFAOYSA-N
XLogP1.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol
CID 170818159
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate
CID 117332045
4-bromo-1-(4-ethoxy-2-fluorophenyl)butane-1,2-diol
CID 171892326
ethyl 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 107720057
ethyl 3-amino-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 165347738
methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117289036
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid
CID 117383667
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 107719713

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate (CID 117328401) is methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate is CCOc1ccc(C(O)C(=O)OC)c(F)c1.
What is the InChIKey of methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate?
The InChIKey is UGXOCLCAVZVOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-3-16-7-4-5-8(9(12)6-7)10(13)11(14)15-2/h4-6,10,13H,3H2,1-2H3.
What are the key properties of methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate?
methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate has a molecular weight of 228.22 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 117328401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).