methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate

C11H13FO4 — CID 117328411

IUPACmethyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(F)c(C)c1OC
InChIInChI=1S/C11H13FO4/c1-6-8(12)5-4-7(10(6)15-2)9(13)11(14)16-3/h4-5,9,13H,1-3H3
InChIKeyZWUCEOOTJZMQBR-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.35
Rot. Bonds3

About methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate

methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate (PubChem CID 117328411) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
PubChem CID117328411
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Namemethyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(F)c(C)c1OC
InChIInChI=1S/C11H13FO4/c1-6-8(12)5-4-7(10(6)15-2)9(13)11(14)16-3/h4-5,9,13H,1-3H3
InChIKeyZWUCEOOTJZMQBR-UHFFFAOYSA-N
XLogP1.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
CID 117361997
ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117492087
ethyl 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117411374
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117289036
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117357394
2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid
CID 171026342
methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate
CID 117375650
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate (CID 117328411) is methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1ccc(F)c(C)c1OC.
What is the InChIKey of methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate?
The InChIKey is ZWUCEOOTJZMQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-6-8(12)5-4-7(10(6)15-2)9(13)11(14)16-3/h4-5,9,13H,1-3H3.
What are the key properties of methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate?
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate has a molecular weight of 228.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117328411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).