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Chemical ID: 5222542
Chemical ID:
5222542
Name [?]:
2-[(2-hydroxy-3,5-dimethyl-phenyl)-phenyl-methyl]-4,6-dimethyl-phenol
SMILES [?]:
Cc1cc(c(c(c1)C(c2ccccc2)c3cc(cc(c3O)C)C)O)C
InChi [?]:
InChI=1/C23H24O2/c1-14-10-16(3)22(24)19(12-14)21(18-8-6-5-7-9-18)20-13-15(2)11-17(4)23(20)25/h5-13,21,24-25H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,25,22,12,11,13,10,14,3,18,7,16,2,17,4,19,9,6,15,8,5,20,24,21/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20)(22,23)(24,25)/rA:25nCCCCCCCCCCCCCCCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s8;s15;d16;s17;d18;d15s19;s20;s19;s17;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8864 |
Area: | 537.208 |
Solvation: | -2.54375 |
Coulombic: | -36.4068 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 332.435 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 5.53 |
LogP (Chemaxon): | 6.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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