(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C20H22ClNO3 — CID 8800152

IUPAC(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc(Cl)ccc2OCc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C20H22ClNO3/c1-14-11-22(12-15(2)25-14)20(23)18-10-17(21)8-9-19(18)24-13-16-6-4-3-5-7-16/h3-10,14-15H,11-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyNARZJSZNIYHVQN-GJZGRUSLSA-N
MW359.85 g/mol
LogP4.17
Rot. Bonds4

About (5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 8800152) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is (5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID8800152
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc(Cl)ccc2OCc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C20H22ClNO3/c1-14-11-22(12-15(2)25-14)20(23)18-10-17(21)8-9-19(18)24-13-16-6-4-3-5-7-16/h3-10,14-15H,11-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyNARZJSZNIYHVQN-GJZGRUSLSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(5-chloro-2-phenylmethoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800157
(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 8800006
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 41292535
[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27660944
(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 40925650
(2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 90574055
[5-chloro-2-(methylamino)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172046
(5-chloro-2-hydrazinylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960537
[5-chloro-2-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960487
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
(5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 28690020
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
CID 95277197

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 8800152) is (5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2cc(Cl)ccc2OCc2ccccc2)C[C@H](C)O1.
What is the InChIKey of (5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is NARZJSZNIYHVQN-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-14-11-22(12-15(2)25-14)20(23)18-10-17(21)8-9-19(18)24-13-16-6-4-3-5-7-16/h3-10,14-15H,11-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 359.85 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 8800152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).