methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate

C13H15FO4 — CID 117388561

IUPACmethyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C13H15FO4/c1-17-13(16)12(15)10-6-9(14)4-5-11(10)18-7-8-2-3-8/h4-6,8,12,15H,2-3,7H2,1H3
InChIKeyUHPDPWROIHKJTF-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.82
Rot. Bonds5

About methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate

methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate (PubChem CID 117388561) has the molecular formula C13H15FO4 and a molecular weight of 254.26 g/mol. Its IUPAC name is methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate
PubChem CID117388561
Molecular FormulaC13H15FO4
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Namemethyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C13H15FO4/c1-17-13(16)12(15)10-6-9(14)4-5-11(10)18-7-8-2-3-8/h4-6,8,12,15H,2-3,7H2,1H3
InChIKeyUHPDPWROIHKJTF-UHFFFAOYSA-N
XLogP1.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(cyclobutylmethoxy)-5-fluorophenyl]-2-hydroxyacetic acid
CID 117388525
S-[3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2,3-dihydroxypropyl] ethanethioate
CID 170822741
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine
CID 117347326
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
3-amino-3-[2-(cyclobutylmethoxy)-5-fluorophenyl]propanoic acid
CID 117421508
2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117344706
2-(cyclopropylmethoxy)-4-fluorobenzamide
CID 70194943
methyl 2-(2-bromo-5-fluorophenyl)-2-hydroxyacetate
CID 103946884
2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117379136

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate (CID 117388561) is methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate is COC(=O)C(O)c1cc(F)ccc1OCC1CC1.
What is the InChIKey of methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate?
The InChIKey is UHPDPWROIHKJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO4/c1-17-13(16)12(15)10-6-9(14)4-5-11(10)18-7-8-2-3-8/h4-6,8,12,15H,2-3,7H2,1H3.
What are the key properties of methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate?
methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate has a molecular weight of 254.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate is sourced from PubChem (CID 117388561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).