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

C13H14FNO5 — CID 103889289

IUPACmethyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H14FNO5/c1-19-13(18)10-7-20-5-4-15(10)12(17)9-3-2-8(14)6-11(9)16/h2-3,6,10,16H,4-5,7H2,1H3
InChIKeyNAAQAPIXYZHBFX-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.55
Rot. Bonds2

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

methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate (PubChem CID 103889289) has the molecular formula C13H14FNO5 and a molecular weight of 283.25 g/mol. Its IUPAC name is methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate
PubChem CID103889289
Molecular FormulaC13H14FNO5
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Namemethyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H14FNO5/c1-19-13(18)10-7-20-5-4-15(10)12(17)9-3-2-8(14)6-11(9)16/h2-3,6,10,16H,4-5,7H2,1H3
InChIKeyNAAQAPIXYZHBFX-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

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Related Compounds

methyl 4-(4-chloro-2,5-difluorobenzoyl)morpholine-3-carboxylate
CID 115868973
methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
CID 104919956
methyl 4-(2,4-diaminobenzoyl)morpholine-3-carboxylate
CID 104774409
methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate
CID 124603692
methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
CID 115670106
2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107013727
methyl 4-(3-bromo-5-fluorobenzoyl)morpholine-3-carboxylate
CID 115670141
methyl 4-(2-hydroxy-3,5-diiodobenzoyl)morpholine-3-carboxylate
CID 104774873
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate
CID 104774421
methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate
CID 104774908
methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate
CID 104774354
methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate
CID 115670262

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate (CID 103889289) is methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)c1ccc(F)cc1O.
What is the InChIKey of methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate?
The InChIKey is NAAQAPIXYZHBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5/c1-19-13(18)10-7-20-5-4-15(10)12(17)9-3-2-8(14)6-11(9)16/h2-3,6,10,16H,4-5,7H2,1H3.
What are the key properties of methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate?
methyl 4-(4-fluoro-2-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-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate is sourced from PubChem (CID 103889289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).