Chemical ID: 4735437

CC(C)(C)c1cc(c(c(c1O)O)O)C(C)(C)C
Chemical ID:
4735437
Name [?]:
4,6-ditert-butylbenzene-1,2,3-triol
SMILES [?]:
CC(C)(C)c1cc(c(c(c1O)O)O)C(C)(C)C
InChi [?]:
InChI=1/C14H22O3/c1-13(2,3)8-7-9(14(4,5)6)11(16)12(17)10(8)15/h7,15-17H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,16,17,6,5,7,10,8,9,2,14,11,13,12/E:(1,2,3,4,5,6)(8,9)(10,11)(13,14)(15,16)/rA:17nCCCCCCCCCCOOOCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s9;s8;s7;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.72348
Area:405.35
Solvation:-3.41027
Coulombic:-50.0788
Bond Count [?]
All:17
Single:14
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:238.323
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:4.66
LogP (Chemaxon):4.45

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Descriptor Annotations

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