methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate

C13H17FO5 — CID 117433363

IUPACmethyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(OC)c(OC(C)C)cc1F
InChIInChI=1S/C13H17FO5/c1-7(2)19-11-6-9(14)8(5-10(11)17-3)12(15)13(16)18-4/h5-7,12,15H,1-4H3
InChIKeyHSEMMMYIEVRLIH-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.83
Rot. Bonds5

About methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate

methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate (PubChem CID 117433363) has the molecular formula C13H17FO5 and a molecular weight of 272.27 g/mol. Its IUPAC name is methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate
PubChem CID117433363
Molecular FormulaC13H17FO5
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Namemethyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(OC)c(OC(C)C)cc1F
InChIInChI=1S/C13H17FO5/c1-7(2)19-11-6-9(14)8(5-10(11)17-3)12(15)13(16)18-4/h5-7,12,15H,1-4H3
InChIKeyHSEMMMYIEVRLIH-UHFFFAOYSA-N
XLogP1.83
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117393928
methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171865301
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428822
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid
CID 117357480
ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-ol
CID 117357817
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117289036
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
CID 117355507
methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117472843
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate (CID 117433363) is methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(OC)c(OC(C)C)cc1F.
What is the InChIKey of methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate?
The InChIKey is HSEMMMYIEVRLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO5/c1-7(2)19-11-6-9(14)8(5-10(11)17-3)12(15)13(16)18-4/h5-7,12,15H,1-4H3.
What are the key properties of methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate?
methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate has a molecular weight of 272.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117433363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).