Chemical ID: 7316617

CC(=O)c1ccc(cc1)OC(=O)COc2cccc(c2)C(=O)C
Chemical ID:
7316617
Name [?]:
(4-acetylphenyl) 2-(3-acetylphenoxy)acetate
SMILES [?]:
CC(=O)c1ccc(cc1)OC(=O)COc2cccc(c2)C(=O)C
InChi [?]:
InChI=1/C18H16O5/c1-12(19)14-6-8-16(9-7-14)23-18(21)11-22-17-5-3-4-15(10-17)13(2)20/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,17,18,16,5,9,6,8,20,13,2,21,4,19,7,15,11,3,22,12,14,10/E:(6,7)(8,9)/rA:23nCCOCCCCCCOCOCOCCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O5
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.59048
Area:540.292
Solvation:-5.91681
Coulombic:-40.8086
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:312.317
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.62
LogP (Chemaxon):1.67

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