methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate

C11H13FO5 — CID 117361997

IUPACmethyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(OC)c(F)c1OC
InChIInChI=1S/C11H13FO5/c1-15-7-5-4-6(9(13)11(14)17-3)10(16-2)8(7)12/h4-5,9,13H,1-3H3
InChIKeyCWMIUOOMSRYLMU-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.05
Rot. Bonds4

About methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate

methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate (PubChem CID 117361997) has the molecular formula C11H13FO5 and a molecular weight of 244.22 g/mol. Its IUPAC name is methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
PubChem CID117361997
Molecular FormulaC11H13FO5
Molecular Weight244.22 g/mol
Exact Mass244.07
IUPAC Namemethyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(OC)c(F)c1OC
InChIInChI=1S/C11H13FO5/c1-15-7-5-4-6(9(13)11(14)17-3)10(16-2)8(7)12/h4-5,9,13H,1-3H3
InChIKeyCWMIUOOMSRYLMU-UHFFFAOYSA-N
XLogP1.05
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
methyl 2-hydroxy-2-(7-methoxy-1-benzothiophen-4-yl)acetate
CID 117383636
methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
methyl 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117495753
ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117357394
methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate
CID 117378480
methyl 2-(5-bromo-2,4-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117495752
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117474610

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate (CID 117361997) is methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1ccc(OC)c(F)c1OC.
What is the InChIKey of methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate?
The InChIKey is CWMIUOOMSRYLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO5/c1-15-7-5-4-6(9(13)11(14)17-3)10(16-2)8(7)12/h4-5,9,13H,1-3H3.
What are the key properties of methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate?
methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate has a molecular weight of 244.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117361997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).