[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C20H22ClNO3 — CID 27660944

IUPAC[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccccc2OCc2ccccc2Cl)C[C@H](C)O1
InChIInChI=1S/C20H22ClNO3/c1-14-11-22(12-15(2)25-14)20(23)17-8-4-6-10-19(17)24-13-16-7-3-5-9-18(16)21/h3-10,14-15H,11-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyKLQRPACVHLIESS-GJZGRUSLSA-N
MW359.85 g/mol
LogP4.17
Rot. Bonds4

About [2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 27660944) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID27660944
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccccc2OCc2ccccc2Cl)C[C@H](C)O1
InChIInChI=1S/C20H22ClNO3/c1-14-11-22(12-15(2)25-14)20(23)17-8-4-6-10-19(17)24-13-16-7-3-5-9-18(16)21/h3-10,14-15H,11-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyKLQRPACVHLIESS-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 [2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[4-[(2-chlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8814188
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
[2-[(2-chlorophenyl)methoxy]phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638428
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 27555052
(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800152
(5-chloro-2-phenylmethoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800157
[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate
CID 669506
[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 119595906
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 973581
[2-[(2-chlorophenyl)methoxy]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 60525709

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 27660944) is [2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2ccccc2OCc2ccccc2Cl)C[C@H](C)O1.
What is the InChIKey of [2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is KLQRPACVHLIESS-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-14-11-22(12-15(2)25-14)20(23)17-8-4-6-10-19(17)24-13-16-7-3-5-9-18(16)21/h3-10,14-15H,11-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of [2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[2-[(2-chlorophenyl)methoxy]phenyl]-[(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 [2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 27660944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).