Chemical ID: 5135432

CC(C)c1cc(c(cc1O)C(C)C)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue