Chemical ID: 5327589

COc1ccc(cc1)C(c2ccc(cc2)OC)(c3ccc(cc3)OC)OCCN4CCCC(C4)C(=O)O
Chemical ID:
5327589
Name [?]:
1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylic acid
SMILES [?]:
COc1ccc(cc1)C(c2ccc(cc2)OC)(c3ccc(cc3)OC)OCCN4CCCC(C4)C(=O)O
InChi [?]:
InChI=1/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,17,25,31,32,5,7,11,15,19,23,4,8,12,14,20,22,30,28,27,34,33,6,10,18,3,13,21,35,9,29,36,37,2,16,24,26/E:(1,2,3)(6,7,8,9,10,11)(12,13,14,15,16,17)(23,24,25)(26,27,28)(32,33)(34,35,36)/rA:37cCOCCCCCCCCCCCCCOCCCCCCCOCOCCNCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s12;d13;d10s14;s13;s16;s9;s18;d19;s20;d21;d18s22;s21;s24;s9;s26;s27;s28;s29;s30;s31;s32;s29s33;s33;d35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H35NO6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:2
ZAP Information [?]
Total:10.2336
Area:712.285
Solvation:-7.57348
Coulombic:-64.8063
Bond Count [?]
All:40
Single:30
Double:10
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:505.602
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.79
LogP (Chemaxon):2.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue