Chemical ID: 6419959

Cc1cc(c(c(c1)Cc2cc(cc(c2O)C(C)(C)C)C)O)Cc3cc(cc(c3O)C(C)(C)C)C
Chemical ID:
6419959
Name [?]:
2,6-bis[(2-hydroxy-5-methyl-3-tert-butyl-phenyl)methyl]-4-methyl-phenol
SMILES [?]:
Cc1cc(c(c(c1)Cc2cc(cc(c2O)C(C)(C)C)C)O)Cc3cc(cc(c3O)C(C)(C)C)C
InChi [?]:
InChI=1/C31H40O3/c1-18-10-21(16-23-12-19(2)14-25(28(23)33)30(4,5)6)27(32)22(11-18)17-24-13-20(3)15-26(29(24)34)31(7,8)9/h10-15,32-34H,16-17H2,1-9H3
InChi Info:
AuxInfo=1/0/N:1,20,34,17,18,19,31,32,33,7,3,10,24,12,26,8,22,2,11,25,6,4,9,23,13,27,5,14,28,16,30,21,15,29/E:(2,3)(4,5,6,7,8,9)(10,11)(12,13)(14,15)(16,17)(19,20)(21,22)(23,24)(25,26)(28,29)(30,31)(33,34)/rA:34nCCCCCCCCCCCCCCOCCCCCOCCCCCCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;s13;s16;s16;s16;s11;s5;s4;s22;s23;d24;s25;d26;d23s27;s28;s27;s30;s30;s30;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H40O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:14.4816
Area:700.052
Solvation:-3.01974
Coulombic:-52.8786
Bond Count [?]
All:36
Single:27
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:460.647
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:7.99
LogP (Chemaxon):10.01

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Descriptor Annotations

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