Chemical ID: 4145242

CCC(CC)C(=O)Oc1ccc2c(c1)occ(c2=O)Oc3cc(cc(c3)C)C
Chemical ID:
4145242
Name [?]:
[3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 2-ethylbutanoate
SMILES [?]:
CCC(CC)C(=O)Oc1ccc2c(c1)occ(c2=O)Oc3cc(cc(c3)C)C
InChi [?]:
InChI=1/C23H24O5/c1-5-16(6-2)23(25)28-17-7-8-19-20(12-17)26-13-21(22(19)24)27-18-10-14(3)9-15(4)11-18/h7-13,16H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,27,28,2,4,10,11,24,26,22,14,16,25,23,3,9,21,12,13,17,18,6,19,7,15,20,8/E:(1,2)(3,4)(5,6)(10,11)(14,15)/rA:28nCCCCCCOOCCCCCCOCCCOOCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s12s17;d18;s17;s20;s21;d22;s23;d24;d21s25;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7426
Area:610.878
Solvation:-3.52933
Coulombic:-44.068
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.434
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.83
LogP (Chemaxon):6.02

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