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Chemical ID: 5135432
Chemical ID:
5135432
Name [?]:
2,5-diisopropylbenzene-1,4-diol
SMILES [?]:
CC(C)c1cc(c(cc1O)C(C)C)O
InChi [?]:
InChI=1/C12H18O2/c1-7(2)9-5-12(14)10(8(3)4)6-11(9)13/h5-8,13-14H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,12,13,5,8,2,11,4,7,9,6,10,14/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCCCCCCCCOCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s7;s11;s11;s6;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.32796 |
Area: | 378.68 |
Solvation: | -2.13903 |
Coulombic: | -33.654 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 194.27 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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