methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate

C12H15FO3 — CID 117325267

IUPACmethyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccccc1CC(C)F
InChIInChI=1S/C12H15FO3/c1-8(13)7-9-5-3-4-6-10(9)11(14)12(15)16-2/h3-6,8,11,14H,7H2,1-2H3
InChIKeyBNJZOPWGRBEINY-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.79
Rot. Bonds4

About methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate

methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate (PubChem CID 117325267) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate
PubChem CID117325267
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Namemethyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccccc1CC(C)F
InChIInChI=1S/C12H15FO3/c1-8(13)7-9-5-3-4-6-10(9)11(14)12(15)16-2/h3-6,8,11,14H,7H2,1-2H3
InChIKeyBNJZOPWGRBEINY-UHFFFAOYSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117287616
methyl (2S)-2-amino-3-[2-(difluoromethyl)phenyl]propanoate
CID 171238597
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate
CID 117446352
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate
CID 86754441
ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117302711
methyl 2-hydroxy-2-[2-(2-hydroxypropan-2-yl)phenyl]acetate
CID 117108610
methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate
CID 138394699
methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate
CID 131742808
methyl (2R,3S)-3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanoate
CID 150198821
methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117318188

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate (CID 117325267) is methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate is COC(=O)C(O)c1ccccc1CC(C)F.
What is the InChIKey of methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate?
The InChIKey is BNJZOPWGRBEINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-8(13)7-9-5-3-4-6-10(9)11(14)12(15)16-2/h3-6,8,11,14H,7H2,1-2H3.
What are the key properties of methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate?
methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate has a molecular weight of 226.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117325267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).