Chemical ID: 4146366

Cc1cc(cc(c1)OC(=O)c2ccc(cc2)C(C)(C)C)C
Chemical ID:
4146366
Name [?]:
(3,5-dimethylphenyl) 4-tert-butylbenzoate
SMILES [?]:
Cc1cc(cc(c1)OC(=O)c2ccc(cc2)C(C)(C)C)C
InChi [?]:
InChI=1/C19H22O2/c1-13-10-14(2)12-17(11-13)21-18(20)15-6-8-16(9-7-15)19(3,4)5/h6-12H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,21,18,19,20,12,16,13,15,3,7,5,2,4,11,14,6,9,17,10,8/E:(1,2)(3,4,5)(6,7)(8,9)(11,12)(13,14)/rA:21nCCCCCCCOCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.3144
Area:507.061
Solvation:-1.36211
Coulombic:-23.1165
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:282.377
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.21
LogP (Chemaxon):5.84

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