Chemical ID: 4554413

CCc1cc2c(cc1OC(=O)C)occ(c2=O)c3ccc(cc3)OC(C)C
Chemical ID:
4554413
Name [?]:
[6-ethyl-3-(4-isopropoxyphenyl)-4-oxo-chromen-7-yl] acetate
SMILES [?]:
CCc1cc2c(cc1OC(=O)C)occ(c2=O)c3ccc(cc3)OC(C)C
InChi [?]:
InChI=1/C22H22O5/c1-5-15-10-18-21(11-20(15)27-14(4)23)25-12-19(22(18)24)16-6-8-17(9-7-16)26-13(2)3/h6-13H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,27,12,2,19,23,20,22,4,7,14,25,10,3,18,21,5,15,8,6,16,11,17,13,24,9/E:(2,3)(6,7)(8,9)/rA:27nCCCCCCCCOCOCOCCCOCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s6;s13;d14;s5s15;d16;s15;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5964
Area:590.692
Solvation:-4.17087
Coulombic:-41.4696
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.407
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.81
LogP (Chemaxon):4.72

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Descriptor Annotations

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