Chemical ID: 4728543

Cc1cc(cc(c1O)C)C2(CCCC(C2)C)c3cc(c(c(c3)C)O)C
Chemical ID:
4728543
Name [?]:
4-[1-(4-hydroxy-3,5-dimethyl-phenyl)-3-methyl-cyclohexyl]-2,6-dimethyl-phenol
SMILES [?]:
Cc1cc(cc(c1O)C)C2(CCCC(C2)C)c3cc(c(c(c3)C)O)C
InChi [?]:
InChI=1/C23H30O2/c1-14-7-6-8-23(13-14,19-9-15(2)21(24)16(3)10-19)20-11-17(4)22(25)18(5)12-20/h9-12,14,24-25H,6-8,13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:16,1,9,23,25,12,13,11,3,5,22,18,15,14,2,6,21,19,4,17,7,20,10,8,24/E:(2,3,4,5)(9,10,11,12)(15,16,17,18)(19,20)(21,22)(24,25)/rA:25cCCCCCCCOCCCCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;s13;s10s14;s14;s10;s17;d18;s19;d20;d17s21;s21;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.1483
Area:545.958
Solvation:-2.50063
Coulombic:-35.4228
Bond Count [?]
All:27
Single:21
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:338.483
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:6.88
LogP (Chemaxon):7.49

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