(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone

C13H16FNO3 — CID 103887571

IUPAC(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(F)cc2O)C(C)CO1
InChIInChI=1S/C13H16FNO3/c1-8-7-18-9(2)6-15(8)13(17)11-4-3-10(14)5-12(11)16/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyMCKCNRPPRPTDCD-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.78
Rot. Bonds1

About (2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone

(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone (PubChem CID 103887571) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
PubChem CID103887571
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(F)cc2O)C(C)CO1
InChIInChI=1S/C13H16FNO3/c1-8-7-18-9(2)6-15(8)13(17)11-4-3-10(14)5-12(11)16/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyMCKCNRPPRPTDCD-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017
(2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60821084
[2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 60822361
(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095610
(2,5-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methanone
CID 110727631
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103295933
[4-fluoro-2-(trifluoromethyl)phenyl]-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 97157511
(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 128927247
(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 106852628
(2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103989123
1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 107013584

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone (CID 103887571) is (2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone is CC1CN(C(=O)c2ccc(F)cc2O)C(C)CO1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is MCKCNRPPRPTDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8-7-18-9(2)6-15(8)13(17)11-4-3-10(14)5-12(11)16/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 253.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 103887571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).