methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate

C13H16FNO4 — CID 117108709

IUPACmethyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C13H16FNO4/c1-18-13(17)12(16)10-3-2-9(14)8-11(10)15-4-6-19-7-5-15/h2-3,8,12,16H,4-7H2,1H3
InChIKeyXNLSNKQSBYJOHP-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.87
Rot. Bonds3

About methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate

methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate (PubChem CID 117108709) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate
PubChem CID117108709
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Namemethyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C13H16FNO4/c1-18-13(17)12(16)10-3-2-9(14)8-11(10)15-4-6-19-7-5-15/h2-3,8,12,16H,4-7H2,1H3
InChIKeyXNLSNKQSBYJOHP-UHFFFAOYSA-N
XLogP0.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate
CID 117108710
2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid
CID 117108583
methyl 2-hydroxy-2-(5-methyl-2-morpholin-4-ylphenyl)acetate
CID 117417055
2-amino-1-(4-fluoro-2-morpholin-4-ylphenyl)ethanol
CID 117115347
methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate
CID 117421323
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate
CID 117380930
3-(4-fluoro-2-morpholin-4-ylphenyl)butanal
CID 117107597
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695
2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine
CID 117111920
2-(5-fluoro-2-morpholin-4-ylphenyl)propan-2-ol
CID 117350892
3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea
CID 86778801

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate (CID 117108709) is methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1ccc(F)cc1N1CCOCC1.
What is the InChIKey of methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate?
The InChIKey is XNLSNKQSBYJOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-18-13(17)12(16)10-3-2-9(14)8-11(10)15-4-6-19-7-5-15/h2-3,8,12,16H,4-7H2,1H3.
What are the key properties of methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate?
methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate has a molecular weight of 269.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117108709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).