1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone

C14H18FNO3 — CID 43792796

IUPAC1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CN2CCOC(C)C2)c1O
InChIInChI=1S/C14H18FNO3/c1-9-7-16(3-4-19-9)8-11-5-12(15)6-13(10(2)17)14(11)18/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyVDFXDCOIBAIQGB-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.95
Rot. Bonds3

About 1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone

1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone (PubChem CID 43792796) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone
PubChem CID43792796
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CN2CCOC(C)C2)c1O
InChIInChI=1S/C14H18FNO3/c1-9-7-16(3-4-19-9)8-11-5-12(15)6-13(10(2)17)14(11)18/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyVDFXDCOIBAIQGB-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone (CID 43792796) is 1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone is CC(=O)c1cc(F)cc(CN2CCOC(C)C2)c1O.
What is the InChIKey of 1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone?
The InChIKey is VDFXDCOIBAIQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9-7-16(3-4-19-9)8-11-5-12(15)6-13(10(2)17)14(11)18/h5-6,9,18H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone?
1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone has a molecular weight of 267.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 43792796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).