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Chemical ID: 4952642
Chemical ID:
4952642
Name [?]:
2-[1-(2-hydroxy-4-methyl-phenyl)-1-methyl-ethyl]-5-methyl-phenol
SMILES [?]:
Cc1ccc(c(c1)O)C(C)(C)c2ccc(cc2O)C
InChi [?]:
InChI=1/C17H20O2/c1-11-5-7-13(15(18)9-11)17(3,4)14-8-6-12(2)10-16(14)19/h5-10,18-19H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,10,11,3,14,4,13,7,16,2,15,5,12,6,17,9,8,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)/rA:19nCCCCCCCOCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s9;s9;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44066 |
Area: | 428.065 |
Solvation: | -2.26096 |
Coulombic: | -34.78 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 256.34 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.76 |
LogP (Chemaxon): | 5.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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