Chemical ID: 6875839

CCc1ccccc1Oc2coc3cc(ccc3c2=O)OC(C)C(=O)OCC(C)C
Chemical ID:
6875839
Name [?]:
isobutyl 2-[3-(2-ethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoate
SMILES [?]:
CCc1ccccc1Oc2coc3cc(ccc3c2=O)OC(C)C(=O)OCC(C)C
InChi [?]:
InChI=1/C24H26O6/c1-5-17-8-6-7-9-20(17)30-22-14-27-21-12-18(10-11-19(21)23(22)25)29-16(4)24(26)28-13-15(2)3/h6-12,14-16H,5,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,30,23,2,5,6,4,7,16,17,14,27,11,28,22,3,15,18,8,13,10,19,24,20,25,12,26,21,9/E:(2,3)/rA:30cCCCCCCCCOCCOCCCCCCCOOCCCOOCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;s22;s22;d24;s24;s26;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26O6
All Atoms:56
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.5933
Area:657.809
Solvation:-4.85191
Coulombic:-53.509
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:410.46
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.4
LogP (Chemaxon):5.54

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