Chemical ID: 4154499

CCc1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCC(=O)OCC(C)C
Chemical ID:
4154499
Name [?]:
isobutyl 2-[3-(4-ethylphenoxy)-4-oxo-chromen-7-yl]oxyacetate
SMILES [?]:
CCc1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCC(=O)OCC(C)C
InChi [?]:
InChI=1/C23H24O6/c1-4-16-5-7-17(8-6-16)29-21-13-27-20-11-18(9-10-19(20)23(21)25)26-14-22(24)28-12-15(2)3/h5-11,13,15H,4,12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,29,2,4,8,5,7,16,17,14,26,11,22,27,3,6,15,18,13,10,23,19,24,20,21,12,25,9/E:(2,3)(5,6)(7,8)/rA:29nCCCCCCCCOCCOCCCCCCCOOCCOOCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;s22;d23;s23;s25;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.901
Area:651.093
Solvation:-5.37636
Coulombic:-52.1737
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.433
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.08
LogP (Chemaxon):5.0

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