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Chemical ID: 5222535
Chemical ID:
5222535
Name [?]:
2-[bis(2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenol
SMILES [?]:
Cc1ccc(c(c1)C(c2cc(ccc2O)C)c3cc(ccc3O)C)O
InChi [?]:
InChI=1/C22H22O3/c1-13-4-7-19(23)16(10-13)22(17-11-14(2)5-8-20(17)24)18-12-15(3)6-9-21(18)25/h4-12,22-25H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,24,3,12,20,4,13,21,7,10,18,2,11,19,6,9,17,5,14,22,8,25,15,23/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12)(13,14,15)(16,17,18)(19,20,21)(23,24,25)/rA:25nCCCCCCCCCCCCCCOCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;s11;s8;s17;d18;s19;d20;d17s21;s22;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.63153 |
Area: | 523.487 |
Solvation: | -3.45565 |
Coulombic: | -51.3498 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.408 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 4.27 |
LogP (Chemaxon): | 6.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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