methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate

C13H14FNO5 — CID 104919956

IUPACmethyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1c(O)cccc1F
InChIInChI=1S/C13H14FNO5/c1-19-13(18)9-7-20-6-5-15(9)12(17)11-8(14)3-2-4-10(11)16/h2-4,9,16H,5-7H2,1H3
InChIKeyIFXTULBCCCDOLX-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.55
Rot. Bonds2

About methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate

methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate (PubChem CID 104919956) has the molecular formula C13H14FNO5 and a molecular weight of 283.25 g/mol. Its IUPAC name is methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
PubChem CID104919956
Molecular FormulaC13H14FNO5
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Namemethyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1c(O)cccc1F
InChIInChI=1S/C13H14FNO5/c1-19-13(18)9-7-20-6-5-15(9)12(17)11-8(14)3-2-4-10(11)16/h2-4,9,16H,5-7H2,1H3
InChIKeyIFXTULBCCCDOLX-UHFFFAOYSA-N
XLogP0.55
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid
CID 107013662
methyl 4-(3-amino-2,6-difluorobenzoyl)morpholine-3-carboxylate
CID 104774422
methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate
CID 103889289
[3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107017010
methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate
CID 124603692
methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
CID 115670106
4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 114559720
methyl 4-(4-chloro-2,5-difluorobenzoyl)morpholine-3-carboxylate
CID 115868973
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579
methyl 4-(2-carbamothioyl-3-fluorophenyl)morpholine-3-carboxylate
CID 104774658
methyl 4-(3-bromo-5-fluorobenzoyl)morpholine-3-carboxylate
CID 115670141
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate
CID 104774421

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate (CID 104919956) is methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)c1c(O)cccc1F.
What is the InChIKey of methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate?
The InChIKey is IFXTULBCCCDOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5/c1-19-13(18)9-7-20-6-5-15(9)12(17)11-8(14)3-2-4-10(11)16/h2-4,9,16H,5-7H2,1H3.
What are the key properties of methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate?
methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate has a molecular weight of 283.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate is sourced from PubChem (CID 104919956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).