methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate

C10H11FO3 — CID 57447177

IUPACmethyl 2-(4-fluoro-2-hydroxyphenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(F)cc1O
InChIInChI=1S/C10H11FO3/c1-6(10(13)14-2)8-4-3-7(11)5-9(8)12/h3-6,12H,1-2H3
InChIKeyICVYNHFCZHLUHA-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.81
Rot. Bonds2

About methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate

methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate (PubChem CID 57447177) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-2-hydroxyphenyl)propanoate
PubChem CID57447177
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Namemethyl 2-(4-fluoro-2-hydroxyphenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(F)cc1O
InChIInChI=1S/C10H11FO3/c1-6(10(13)14-2)8-4-3-7(11)5-9(8)12/h3-6,12H,1-2H3
InChIKeyICVYNHFCZHLUHA-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 107015165
methyl 2-(4-hydroxy-2-methylphenyl)propanoate
CID 131289275
methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
methyl (2S)-2-amino-2-(4-fluoro-2-methoxyphenyl)acetate;hydrochloride
CID 171205347
methyl 2-[(4-fluoro-2-methylphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62396569
methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate
CID 68634911
methyl (2S)-2-(2,5-difluoro-4-methylphenyl)propanoate
CID 124636879
2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide
CID 82979371
2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82977734
methyl 2-(2-bromo-5-fluorophenyl)-2-hydroxyacetate
CID 103946884

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate?
The IUPAC name of methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate (CID 57447177) is methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate is COC(=O)C(C)c1ccc(F)cc1O.
What is the InChIKey of methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate?
The InChIKey is ICVYNHFCZHLUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6(10(13)14-2)8-4-3-7(11)5-9(8)12/h3-6,12H,1-2H3.
What are the key properties of methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate?
methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate has a molecular weight of 198.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate is sourced from PubChem (CID 57447177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).