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Chemical ID: 4728543
Chemical ID:
4728543
Name [?]:
4-[1-(4-hydroxy-3,5-dimethyl-phenyl)-3-methyl-cyclohexyl]-2,6-dimethyl-phenol
SMILES [?]:
Cc1cc(cc(c1O)C)C2(CCCC(C2)C)c3cc(c(c(c3)C)O)C
InChi [?]:
InChI=1/C23H30O2/c1-14-7-6-8-23(13-14,19-9-15(2)21(24)16(3)10-19)20-11-17(4)22(25)18(5)12-20/h9-12,14,24-25H,6-8,13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:16,1,9,23,25,12,13,11,3,5,22,18,15,14,2,6,21,19,4,17,7,20,10,8,24/E:(2,3,4,5)(9,10,11,12)(15,16,17,18)(19,20)(21,22)(24,25)/rA:25cCCCCCCCOCCCCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;s13;s10s14;s14;s10;s17;d18;s19;d20;d17s21;s21;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1483 |
Area: | 545.958 |
Solvation: | -2.50063 |
Coulombic: | -35.4228 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 338.483 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 6.88 |
LogP (Chemaxon): | 7.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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