Chemical ID: 4556050

CCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)c3cc4ccccc4o3
Chemical ID:
4556050
Name [?]:
ethyl 2-(3-benzofuran-2-yl-4-oxo-chromen-7-yl)oxypropanoate
SMILES [?]:
CCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)c3cc4ccccc4o3
InChi [?]:
InChI=1/C22H18O6/c1-3-25-22(24)13(2)27-15-8-9-16-19(11-15)26-12-17(21(16)23)20-10-14-6-4-5-7-18(14)28-20/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,24,25,23,26,10,11,21,14,16,6,22,9,12,17,27,13,20,18,4,19,5,3,15,8,28/rA:28cCCOCOCCOCCCCCCOCCCOCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s12s17;d18;s17;d20;s21;s22;d23;s24;d25;d22s26;s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.39046
Area:601.263
Solvation:-5.64111
Coulombic:-50.5224
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.375
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.16
LogP (Chemaxon):4.4

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