methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate

C12H14F2O3 — CID 117362062

IUPACmethyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(F)ccc(C(C)C)c1F
InChIInChI=1S/C12H14F2O3/c1-6(2)7-4-5-8(13)9(10(7)14)11(15)12(16)17-3/h4-6,11,15H,1-3H3
InChIKeyLCYRBNBFGLHGRC-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.29
Rot. Bonds3

About methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate

methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate (PubChem CID 117362062) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
PubChem CID117362062
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Namemethyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(F)ccc(C(C)C)c1F
InChIInChI=1S/C12H14F2O3/c1-6(2)7-4-5-8(13)9(10(7)14)11(15)12(16)17-3/h4-6,11,15H,1-3H3
InChIKeyLCYRBNBFGLHGRC-UHFFFAOYSA-N
XLogP2.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680
ethyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398911
methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
CID 117310490
methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate
CID 117420065
2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117328561
3-amino-2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117359416
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanoate
CID 171863882
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate
CID 117321227
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate (CID 117362062) is methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(F)ccc(C(C)C)c1F.
What is the InChIKey of methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate?
The InChIKey is LCYRBNBFGLHGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-6(2)7-4-5-8(13)9(10(7)14)11(15)12(16)17-3/h4-6,11,15H,1-3H3.
What are the key properties of methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate?
methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate has a molecular weight of 244.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117362062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).