methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate

C11H12F2O4 — CID 131742808

IUPACmethyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)Cc1ccccc1OC(F)F
InChIInChI=1S/C11H12F2O4/c1-16-10(15)8(14)6-7-4-2-3-5-9(7)17-11(12)13/h2-5,8,11,14H,6H2,1H3/t8-/m1/s1
InChIKeySHDRCXOOXVURDI-MRVPVSSYSA-N
MW246.21 g/mol
LogP1.36
Rot. Bonds5

About methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate

methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate (PubChem CID 131742808) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate
PubChem CID131742808
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Namemethyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)Cc1ccccc1OC(F)F
InChIInChI=1S/C11H12F2O4/c1-16-10(15)8(14)6-7-4-2-3-5-9(7)17-11(12)13/h2-5,8,11,14H,6H2,1H3/t8-/m1/s1
InChIKeySHDRCXOOXVURDI-MRVPVSSYSA-N
XLogP1.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propanoic acid
CID 61011180
methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate
CID 112653100
N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
CID 120505995
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
methyl 3-[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]-2-methylpropanoate
CID 111866418
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate (CID 131742808) is methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate is COC(=O)[C@H](O)Cc1ccccc1OC(F)F.
What is the InChIKey of methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate?
The InChIKey is SHDRCXOOXVURDI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-16-10(15)8(14)6-7-4-2-3-5-9(7)17-11(12)13/h2-5,8,11,14H,6H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate?
methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate has a molecular weight of 246.21 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate is sourced from PubChem (CID 131742808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).