methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate

C11H12F2O4 — CID 62214131

IUPACmethyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate
SMILESCOC(=O)C(C)(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H12F2O4/c1-11(15,9(14)16-2)7-3-5-8(6-4-7)17-10(12)13/h3-6,10,15H,1-2H3
InChIKeyURYITPKSGBCDJV-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.67
Rot. Bonds4

About methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate

methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate (PubChem CID 62214131) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate
PubChem CID62214131
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Namemethyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate
SMILESCOC(=O)C(C)(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H12F2O4/c1-11(15,9(14)16-2)7-3-5-8(6-4-7)17-10(12)13/h3-6,10,15H,1-2H3
InChIKeyURYITPKSGBCDJV-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-(difluoromethoxy)phenyl]-2-hydroxy-2-methylbutanoate
CID 55048145
methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate
CID 15626355
methyl 2-[4-(difluoromethoxy)phenyl]-2-(propylamino)propanoate
CID 60795366
methyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate
CID 572033
3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid
CID 62395470
2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide
CID 97057512
ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
CID 60786372
2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoic acid
CID 43753895
3-[4-(difluoromethoxy)phenyl]-3-(dimethylamino)butanoic acid
CID 64527374
2-[4-(difluoromethoxy)anilino]-2-methylpropanoic acid
CID 114992858
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978
methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate
CID 93311120

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate?
The IUPAC name of methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate (CID 62214131) is methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate.
What is the SMILES notation for methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate?
The canonical SMILES for methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate is COC(=O)C(C)(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate?
The InChIKey is URYITPKSGBCDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-11(15,9(14)16-2)7-3-5-8(6-4-7)17-10(12)13/h3-6,10,15H,1-2H3.
What are the key properties of methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate?
methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate has a molecular weight of 246.21 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate is sourced from PubChem (CID 62214131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).