methyl 2-(2-fluorophenyl)-3-hydroxypropanoate

C10H11FO3 — CID 117244488

IUPACmethyl 2-(2-fluorophenyl)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)c1ccccc1F
InChIInChI=1S/C10H11FO3/c1-14-10(13)8(6-12)7-4-2-3-5-9(7)11/h2-5,8,12H,6H2,1H3
InChIKeyXCQVTXHZTDQEET-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.07
Rot. Bonds3

About methyl 2-(2-fluorophenyl)-3-hydroxypropanoate

methyl 2-(2-fluorophenyl)-3-hydroxypropanoate (PubChem CID 117244488) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-3-hydroxypropanoate
PubChem CID117244488
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Namemethyl 2-(2-fluorophenyl)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)c1ccccc1F
InChIInChI=1S/C10H11FO3/c1-14-10(13)8(6-12)7-4-2-3-5-9(7)11/h2-5,8,12H,6H2,1H3
InChIKeyXCQVTXHZTDQEET-UHFFFAOYSA-N
XLogP1.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate
CID 117244498
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate
CID 156875680
methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate
CID 117244261
(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
CID 157200249
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 10686166
methyl 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 81380721
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
CID 43225088
methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate
CID 65235054
methyl 2-[4-(difluoromethyl)phenyl]-3-hydroxypropanoate
CID 168947878
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]-3-methylbutanoate
CID 43414590
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-3-hydroxypropanoate?
The IUPAC name of methyl 2-(2-fluorophenyl)-3-hydroxypropanoate (CID 117244488) is methyl 2-(2-fluorophenyl)-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-3-hydroxypropanoate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-3-hydroxypropanoate is COC(=O)C(CO)c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-3-hydroxypropanoate?
The InChIKey is XCQVTXHZTDQEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-14-10(13)8(6-12)7-4-2-3-5-9(7)11/h2-5,8,12H,6H2,1H3.
What are the key properties of methyl 2-(2-fluorophenyl)-3-hydroxypropanoate?
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate has a molecular weight of 198.19 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-3-hydroxypropanoate is sourced from PubChem (CID 117244488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).