(2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one

C19H19Cl2NO3 — CID 102308334

IUPAC(2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one
SMILESC[C@H]1[C@H](c2ccccc2)O[C@H]([C@@H](O)c2cc(Cl)cc(Cl)c2)C(=O)N1C
InChIInChI=1S/C19H19Cl2NO3/c1-11-17(12-6-4-3-5-7-12)25-18(19(24)22(11)2)16(23)13-8-14(20)10-15(21)9-13/h3-11,16-18,23H,1-2H3/t11-,16-,17+,18+/m0/s1
InChIKeyBJOAWDIXDKGKHC-ZUHTVMMCSA-N
MW380.27 g/mol
LogP4.01
Rot. Bonds3

About (2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one

(2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one (PubChem CID 102308334) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is (2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one.

Molecular Properties

Compound Name(2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one
PubChem CID102308334
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name(2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one
SMILESC[C@H]1[C@H](c2ccccc2)O[C@H]([C@@H](O)c2cc(Cl)cc(Cl)c2)C(=O)N1C
InChIInChI=1S/C19H19Cl2NO3/c1-11-17(12-6-4-3-5-7-12)25-18(19(24)22(11)2)16(23)13-8-14(20)10-15(21)9-13/h3-11,16-18,23H,1-2H3/t11-,16-,17+,18+/m0/s1
InChIKeyBJOAWDIXDKGKHC-ZUHTVMMCSA-N
XLogP4.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one with MolForge

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Related Compounds

5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one
CID 123700423
(2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one
CID 118622941
3-(3,5-dichlorophenyl)-1-methyl-5-phenylimidazolidine-2,4-dione
CID 86820061
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
2,3-dihydroxybutanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydrate
CID 173400053
2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(R)-hydroxy(pyridin-4-yl)methyl]-5-oxomorpholin-4-yl]pentanoic acid
CID 118622976
2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol
CID 102331412
(4S,5S)-4-hydroxy-2-methyl-5-phenyl-1,2-oxazolidin-3-one
CID 131102376
4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide
CID 7214268
2-[(2R,4R,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 932898
(3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one
CID 11522228
(2R,3R)-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 22216391

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one?
The IUPAC name of (2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one (CID 102308334) is (2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one.
What is the SMILES notation for (2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one?
The canonical SMILES for (2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one is C[C@H]1[C@H](c2ccccc2)O[C@H]([C@@H](O)c2cc(Cl)cc(Cl)c2)C(=O)N1C.
What is the InChIKey of (2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one?
The InChIKey is BJOAWDIXDKGKHC-ZUHTVMMCSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-11-17(12-6-4-3-5-7-12)25-18(19(24)22(11)2)16(23)13-8-14(20)10-15(21)9-13/h3-11,16-18,23H,1-2H3/t11-,16-,17+,18+/m0/s1.
What are the key properties of (2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one?
(2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one has a molecular weight of 380.27 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one is sourced from PubChem (CID 102308334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).