methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate

C10H11FO3 — CID 129367520

IUPACmethyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)[C@@H](O)c1ccc(F)cc1C
InChIInChI=1S/C10H11FO3/c1-6-5-7(11)3-4-8(6)9(12)10(13)14-2/h3-5,9,12H,1-2H3/t9-/m0/s1
InChIKeyVRSFSIIONJHLPE-VIFPVBQESA-N
MW198.19 g/mol
LogP1.34
Rot. Bonds2

About methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate

methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate (PubChem CID 129367520) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
PubChem CID129367520
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Namemethyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)[C@@H](O)c1ccc(F)cc1C
InChIInChI=1S/C10H11FO3/c1-6-5-7(11)3-4-8(6)9(12)10(13)14-2/h3-5,9,12H,1-2H3/t9-/m0/s1
InChIKeyVRSFSIIONJHLPE-VIFPVBQESA-N
XLogP1.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
methyl 2-[(4-fluoro-2-methylphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62396569
methyl 2-(2-bromo-5-fluorophenyl)-2-hydroxyacetate
CID 103946884
methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate
CID 117302719
methyl 2-(4-fluoro-2-methylphenyl)-2-(prop-2-ynylamino)acetate
CID 62365461
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate
CID 57447177
methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate
CID 117108709
methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate
CID 62134309
methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate
CID 117300134
methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
methyl 2-(4,5-dimethyl-2-methylsulfanylphenyl)-2-hydroxyacetate
CID 117353748

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate (CID 129367520) is methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate is COC(=O)[C@@H](O)c1ccc(F)cc1C.
What is the InChIKey of methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate?
The InChIKey is VRSFSIIONJHLPE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11FO3/c1-6-5-7(11)3-4-8(6)9(12)10(13)14-2/h3-5,9,12H,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate?
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate has a molecular weight of 198.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 129367520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).