[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

C20H21Cl2NO3 — CID 8815293

IUPAC[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C[C@@H](C)O1
InChIInChI=1S/C20H21Cl2NO3/c1-13-10-23(11-14(2)26-13)20(24)16-4-3-5-17(9-16)25-12-15-6-7-18(21)19(22)8-15/h3-9,13-14H,10-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyHXYURNSMWXHAPA-ZIAGYGMSSA-N
MW394.30 g/mol
LogP4.82
Rot. Bonds4

About [3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 8815293) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is [3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID8815293
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C[C@@H](C)O1
InChIInChI=1S/C20H21Cl2NO3/c1-13-10-23(11-14(2)26-13)20(24)16-4-3-5-17(9-16)25-12-15-6-7-18(21)19(22)8-15/h3-9,13-14H,10-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyHXYURNSMWXHAPA-ZIAGYGMSSA-N
XLogP4.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 8815161
(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993576
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
(2,6-dimethylmorpholin-4-yl)-[3-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830488
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 8815270
(6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid
CID 120536231
(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689
[3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576539
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 8815293) is [3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C[C@@H](C)O1.
What is the InChIKey of [3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is HXYURNSMWXHAPA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c1-13-10-23(11-14(2)26-13)20(24)16-4-3-5-17(9-16)25-12-15-6-7-18(21)19(22)8-15/h3-9,13-14H,10-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 394.30 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 8815293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).