methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate

C11H12F2O4 — CID 79888346

IUPACmethyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1c(F)cc(CO)cc1F
InChIInChI=1S/C11H12F2O4/c1-6(11(15)16-2)17-10-8(12)3-7(5-14)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeyAGTROJYUNBNTSM-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.40
Rot. Bonds4

About methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate

methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate (PubChem CID 79888346) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
PubChem CID79888346
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Namemethyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1c(F)cc(CO)cc1F
InChIInChI=1S/C11H12F2O4/c1-6(11(15)16-2)17-10-8(12)3-7(5-14)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeyAGTROJYUNBNTSM-UHFFFAOYSA-N
XLogP1.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 175054822
methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 131748200
ethyl 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]propanoate
CID 79892083
2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
CID 79886751
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79891642
(3,5-difluoro-4-pentan-2-yloxyphenyl)methanol
CID 107892314
2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide
CID 79887608
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide
CID 79888347
methyl 2-(2-amino-6-fluorophenoxy)propanoate
CID 104831172
N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882227

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate?
The IUPAC name of methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate (CID 79888346) is methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate.
What is the SMILES notation for methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate?
The canonical SMILES for methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate is COC(=O)C(C)Oc1c(F)cc(CO)cc1F.
What is the InChIKey of methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate?
The InChIKey is AGTROJYUNBNTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-6(11(15)16-2)17-10-8(12)3-7(5-14)4-9(10)13/h3-4,6,14H,5H2,1-2H3.
What are the key properties of methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate?
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate has a molecular weight of 246.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate is sourced from PubChem (CID 79888346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).