Chemical ID: 4400729

CCc1cc2c(cc1OC(C)C)oc(c(c2=O)c3ccc4c(c3)OCO4)CC
Chemical ID:
4400729
Name [?]:
3-benzo[1,3]dioxol-5-yl-2,6-diethyl-7-isopropoxy-chromen-4-one
SMILES [?]:
CCc1cc2c(cc1OC(C)C)oc(c(c2=O)c3ccc4c(c3)OCO4)CC
InChi [?]:
InChI=1/C23H24O5/c1-5-14-9-16-20(11-19(14)27-13(3)4)28-17(6-2)22(23(16)24)15-7-8-18-21(10-15)26-12-25-18/h7-11,13H,5-6,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,11,12,2,27,19,20,4,23,7,25,10,3,18,5,14,21,8,6,22,15,16,17,26,24,9,13/E:(3,4)/rA:28nCCCCCCCCOCCCOCCCOCCCCCCOCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s10;s6;s13;d14;s5s15;d16;s15;s18;d19;s20;d21;d18s22;s22;s24;s21s25;s14;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.1405
Area:588.299
Solvation:-4.56703
Coulombic:-40.4344
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.434
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.27
LogP (Chemaxon):5.39

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