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Chemical ID: 4285608

Chemical ID:

4285608

Name [?]:

1-(2,6-dimethylmorpholin-4-yl)-3-(2,6-dimethylphenoxy)-propan-2-ol

SMILES [?]:

Cc1cccc(c1OCC(CN2CC(OC(C2)C)C)O)C

InChi [?]:

InChI=1/C17H27NO3/c1-12-6-5-7-13(2)17(12)20-11-16(19)10-18-8-14(3)21-15(4)9-18/h5-7,14-16,19H,8-11H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,21,18,19,4,3,5,17,13,11,9,2,6,16,14,10,7,12,20,8,15/E:(1,2)(3,4)(6,7)(8,9)(12,13)(14,15)/rA:21cCCCCCCCOCCCNCCOCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s16;s14;s10;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₇NO₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	3

ZAP Information [?]

Total:	6.44991
Area:	512.26
Solvation:	-6.35659
Coulombic:	-35.9202

Bond Count [?]

All:	22
Single:	19
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	293.401
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.09
LogP (Chemaxon):	2.82

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value