Chemical ID: 6193934

Cc1cc(cc(c1Cl)C)OCC(CN2CCCCC2C)O
Chemical ID:
6193934
Name [?]:
1-(4-chloro-3,5-dimethyl-phenoxy)-3-(2-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCC(CN2CCCCC2C)O
InChi [?]:
InChI=1/C17H26ClNO2/c1-12-8-16(9-13(2)17(12)18)21-11-15(20)10-19-7-5-4-6-14(19)3/h8-9,14-15,20H,4-7,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,20,17,16,18,15,3,5,13,11,2,6,19,12,4,7,8,14,21,10/E:(1,2)(8,9)(12,13)/rA:21cCCCCCCCClCOCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s19;s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26ClNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:8.73858
Area:522.166
Solvation:-4.31557
Coulombic:-29.4744
Bond Count [?]
All:22
Single:19
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.847
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.52
LogP (Chemaxon):3.99

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Descriptor Annotations

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