[(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone

C17H15F2NO3 — CID 124618948

IUPAC[(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CCO[C@@H](c2ccc(F)cc2F)C1
InChIInChI=1S/C17H15F2NO3/c18-12-4-5-14(15(19)9-12)16-10-20(6-7-23-16)17(22)11-2-1-3-13(21)8-11/h1-5,8-9,16,21H,6-7,10H2/t16-/m1/s1
InChIKeyCDTKZLKVFXREJA-MRXNPFEDSA-N
MW319.31 g/mol
LogP2.88
Rot. Bonds2

About [(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone

[(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone (PubChem CID 124618948) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is [(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone
PubChem CID124618948
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name[(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CCO[C@@H](c2ccc(F)cc2F)C1
InChIInChI=1S/C17H15F2NO3/c18-12-4-5-14(15(19)9-12)16-10-20(6-7-23-16)17(22)11-2-1-3-13(21)8-11/h1-5,8-9,16,21H,6-7,10H2/t16-/m1/s1
InChIKeyCDTKZLKVFXREJA-MRXNPFEDSA-N
XLogP2.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 124618947
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124618941
N-[4-[2-(2,4-difluorophenyl)morpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide
CID 166414107
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 119315888
(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973507
(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
CID 155946524
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
[2-(2-fluorophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 84510735
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 47517184
N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide
CID 126783807

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone (CID 124618948) is [(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone is O=C(c1cccc(O)c1)N1CCO[C@@H](c2ccc(F)cc2F)C1.
What is the InChIKey of [(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is CDTKZLKVFXREJA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15F2NO3/c18-12-4-5-14(15(19)9-12)16-10-20(6-7-23-16)17(22)11-2-1-3-13(21)8-11/h1-5,8-9,16,21H,6-7,10H2/t16-/m1/s1.
What are the key properties of [(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone?
[(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 319.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 124618948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).