Chemical ID: 4222163

CC(=O)Oc1ccc(cc1)C(C)(C)c2ccc(cc2)OC(=O)C
Chemical ID:
4222163
Name [?]:
[4-[1-(4-acetoxyphenyl)-1-methyl-ethyl]phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1)C(C)(C)c2ccc(cc2)OC(=O)C
InChi [?]:
InChI=1/C19H20O4/c1-13(20)22-17-9-5-15(6-10-17)19(3,4)16-7-11-18(12-8-16)23-14(2)21/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,12,13,7,9,15,19,6,10,16,18,2,21,8,14,5,17,11,3,22,4,20/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(20,21)(22,23)/rA:23nCCOOCCCCCCCCCCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s11;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0576
Area:532.632
Solvation:-3.25825
Coulombic:-36.5796
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:312.36
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.9
LogP (Chemaxon):4.17

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