methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate

C12H14FNO4 — CID 117390616

IUPACmethyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate
SMILESCOC(=O)c1cc(C2CNCCO2)cc(F)c1O
InChIInChI=1S/C12H14FNO4/c1-17-12(16)8-4-7(5-9(13)11(8)15)10-6-14-2-3-18-10/h4-5,10,14-15H,2-3,6H2,1H3
InChIKeyMJSCCVHQAJKZHG-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.98
Rot. Bonds2

About methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate

methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate (PubChem CID 117390616) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate
PubChem CID117390616
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Namemethyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate
SMILESCOC(=O)c1cc(C2CNCCO2)cc(F)c1O
InChIInChI=1S/C12H14FNO4/c1-17-12(16)8-4-7(5-9(13)11(8)15)10-6-14-2-3-18-10/h4-5,10,14-15H,2-3,6H2,1H3
InChIKeyMJSCCVHQAJKZHG-UHFFFAOYSA-N
XLogP0.98
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,3-dimethyl-5-morpholin-2-ylbenzoate
CID 117376101
methyl 3-fluoro-2-hydroxy-5-piperidin-3-ylbenzoate
CID 117385557
3-fluoro-2-methoxy-5-morpholin-2-ylphenol
CID 117326493
2,6-difluoro-4-morpholin-2-ylbenzoic acid
CID 117359158
methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate
CID 117421318
methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate
CID 176562995
2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine
CID 117323473
methyl 3-fluoro-2-hydroxy-5-piperidin-2-ylbenzoate
CID 117385565
4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol
CID 117491098
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
2-(3,5-dimethoxyphenyl)morpholine
CID 53414236
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate?
The IUPAC name of methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate (CID 117390616) is methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate.
What is the SMILES notation for methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate?
The canonical SMILES for methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate is COC(=O)c1cc(C2CNCCO2)cc(F)c1O.
What is the InChIKey of methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate?
The InChIKey is MJSCCVHQAJKZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-17-12(16)8-4-7(5-9(13)11(8)15)10-6-14-2-3-18-10/h4-5,10,14-15H,2-3,6H2,1H3.
What are the key properties of methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate?
methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate has a molecular weight of 255.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate is sourced from PubChem (CID 117390616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).