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Chemical ID: 4222163
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
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Experimental Annotations
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Descriptor Annotations
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