methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate

C10H10ClFO4 — CID 117374793

IUPACmethyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)c(F)c(OC)c1
InChIInChI=1S/C10H10ClFO4/c1-15-7-4-5(3-6(11)8(7)12)9(13)10(14)16-2/h3-4,9,13H,1-2H3
InChIKeyGOXYMCYMMOEMKL-UHFFFAOYSA-N
MW248.64 g/mol
LogP1.69
Rot. Bonds3

About methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate

methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117374793) has the molecular formula C10H10ClFO4 and a molecular weight of 248.64 g/mol. Its IUPAC name is methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate
PubChem CID117374793
Molecular FormulaC10H10ClFO4
Molecular Weight248.64 g/mol
Exact Mass248.03
IUPAC Namemethyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)c(F)c(OC)c1
InChIInChI=1S/C10H10ClFO4/c1-15-7-4-5(3-6(11)8(7)12)9(13)10(14)16-2/h3-4,9,13H,1-2H3
InChIKeyGOXYMCYMMOEMKL-UHFFFAOYSA-N
XLogP1.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.64
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-chloro-5-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117363693
methyl 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117374794
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
ethyl 2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetate
CID 117420956
methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
CID 117357190
methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117333182
ethyl 2-(3-chloro-4,5-difluorophenyl)-2-hydroxyacetate
CID 117379961
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117305837
methyl 2-(3-fluoro-4-methoxy-5-methylphenyl)-2-hydroxyacetate
CID 117328416
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate (CID 117374793) is methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(Cl)c(F)c(OC)c1.
What is the InChIKey of methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is GOXYMCYMMOEMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO4/c1-15-7-4-5(3-6(11)8(7)12)9(13)10(14)16-2/h3-4,9,13H,1-2H3.
What are the key properties of methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate?
methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 248.64 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117374793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).