1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone

C18H18FNO3 — CID 111432690

IUPAC1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
SMILESO=C(C(O)c1ccccc1)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C18H18FNO3/c19-15-8-4-7-14(11-15)16-12-20(9-10-23-16)18(22)17(21)13-5-2-1-3-6-13/h1-8,11,16-17,21H,9-10,12H2
InChIKeyNKABIJRAGDPQGP-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.46
Rot. Bonds3

About 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone

1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone (PubChem CID 111432690) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
PubChem CID111432690
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
SMILESO=C(C(O)c1ccccc1)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C18H18FNO3/c19-15-8-4-7-14(11-15)16-12-20(9-10-23-16)18(22)17(21)13-5-2-1-3-6-13/h1-8,11,16-17,21H,9-10,12H2
InChIKeyNKABIJRAGDPQGP-UHFFFAOYSA-N
XLogP2.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668206
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one
CID 136511968
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791793
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
(2R)-2-(3-fluorophenyl)-4-[(1S)-1-phenylethyl]morpholine
CID 67352838
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
CID 174559637

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone (CID 111432690) is 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone is O=C(C(O)c1ccccc1)N1CCOC(c2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone?
The InChIKey is NKABIJRAGDPQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-15-8-4-7-14(11-15)16-12-20(9-10-23-16)18(22)17(21)13-5-2-1-3-6-13/h1-8,11,16-17,21H,9-10,12H2.
What are the key properties of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone?
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone has a molecular weight of 315.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 111432690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).