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Chemical ID: 5245194
Chemical ID:
5245194
Name [?]:
5-(1-hydroxy-1-methyl-ethyl)-2-methyl-phenol
SMILES [?]:
Cc1ccc(cc1O)C(C)(C)O
InChi [?]:
InChI=1/C10H14O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6,11-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,11,3,4,6,2,5,7,9,8,12/E:(2,3)/rA:12nCCCCCCCOCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s9;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.84049 |
Area: | 332.831 |
Solvation: | -2.48028 |
Coulombic: | -33.7606 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 166.217 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.67 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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