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Chemical ID: 7042818
Chemical ID:
7042818
Name [?]:
1-(2-bromophenoxy)-3-(2,2,6,6-tetramethyl-1-piperidyl)-propan-2-ol
SMILES [?]:
CC1(CCCC(N1CC(COc2ccccc2Br)O)(C)C)C
InChi [?]:
InChI=1/C18H28BrNO2/c1-17(2)10-7-11-18(3,4)20(17)12-14(21)13-22-16-9-6-5-8-15(16)19/h5-6,8-9,14,21H,7,10-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,20,21,15,14,4,16,13,3,5,8,10,9,17,12,2,6,18,7,19,11/E:(1,2,3,4)(10,11)(17,18)/rA:22cCCCCCCNCCCOCCCCCCBrOCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s9;s6;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28BrNO2 |
All Atoms: | 50 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.61436 |
Area: | 517.083 |
Solvation: | -4.31273 |
Coulombic: | -29.8295 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 370.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.53 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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