Chemical ID: 6832275

Cc1ccc(cc1)OCC(Cn2cc[nH+]c2C)O
Chemical ID:
6832275
Name [?]:
1-(2-methyl-3H-imidazol-1-yl)-3-(4-methylphenoxy)-propan-2-ol
SMILES [?]:
Cc1ccc(cc1)OCC(Cn2cc[nH+]c2C)O
InChi [?]:
InChI=1/C14H18N2O2/c1-11-3-5-14(6-4-11)18-10-13(17)9-16-8-7-15-12(16)2/h3-8,13,17H,9-10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,17,3,7,4,6,14,13,11,9,2,16,10,5,15,12,18,8/E:(3,4)(5,6)/rA:18cCCCCCCCOCCCNCCN+CCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s14;s12d15;s16;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N2O2+
All Atoms:37
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:-24.6228
Area:453.749
Solvation:-35.9665
Coulombic:-23.103
Bond Count [?]
All:19
Single:14
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.313
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.46
LogP (Chemaxon):1.99

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Descriptor Annotations

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