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Chemical ID: 6733522

Chemical ID:

6733522

Name [?]:

1-(2,6-dimethylphenoxy)-3-(2-methyl-3H-imidazol-1-yl)-propan-2-ol

SMILES [?]:

Cc1cccc(c1OCC(Cn2cc[nH+]c2C)O)C

InChi [?]:

InChI=1/C15H20N2O2/c1-11-5-4-6-12(2)15(11)19-10-14(18)9-17-8-7-16-13(17)3/h4-8,14,18H,9-10H2,1-3H3/p+1

InChi Info:

AuxInfo=1/1/N:1,19,17,4,3,5,14,13,11,9,2,6,16,10,7,15,12,18,8/E:(1,2)(5,6)(11,12)/rA:19cCCCCCCCOCCCNCCN+CCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;d13;s14;s12d15;s16;s10;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₁N₂O₂₊
All Atoms:	40
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	-23.7306
Area:	458.808
Solvation:	-35.2008
Coulombic:	-24.0666

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	261.34
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.48
LogP (Chemaxon):	2.46

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value