methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate

C11H13FO4 — CID 174611796

IUPACmethyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate
SMILESCOCC(O)(C(=O)OC)c1ccccc1F
InChIInChI=1S/C11H13FO4/c1-15-7-11(14,10(13)16-2)8-5-3-4-6-9(8)12/h3-6,14H,7H2,1-2H3
InChIKeySDLPLVLACZKWIP-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.83
Rot. Bonds4

About methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate

methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate (PubChem CID 174611796) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate
PubChem CID174611796
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Namemethyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate
SMILESCOCC(O)(C(=O)OC)c1ccccc1F
InChIInChI=1S/C11H13FO4/c1-15-7-11(14,10(13)16-2)8-5-3-4-6-9(8)12/h3-6,14H,7H2,1-2H3
InChIKeySDLPLVLACZKWIP-UHFFFAOYSA-N
XLogP0.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate?
The IUPAC name of methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate (CID 174611796) is methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate is COCC(O)(C(=O)OC)c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate?
The InChIKey is SDLPLVLACZKWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-15-7-11(14,10(13)16-2)8-5-3-4-6-9(8)12/h3-6,14H,7H2,1-2H3.
What are the key properties of methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate?
methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate has a molecular weight of 228.22 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-2-hydroxy-3-methoxypropanoate is sourced from PubChem (CID 174611796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).