Chemical ID: 4575094

Cc1ccc(o1)C=C2C(=O)c3ccc(cc3O2)OCC(=O)c4ccc(cc4)OC
Chemical ID:
4575094
Name [?]:
6-[2-(4-methoxyphenyl)-2-oxo-ethoxy]-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one
SMILES [?]:
Cc1ccc(o1)C=C2C(=O)c3ccc(cc3O2)OCC(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H18O6/c1-14-3-6-18(28-14)12-22-23(25)19-10-9-17(11-21(19)29-22)27-13-20(24)15-4-7-16(26-2)8-5-15/h3-12H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,3,23,27,4,24,26,13,12,15,7,19,2,22,25,14,5,11,20,16,8,9,21,10,28,18,6,17/E:(4,5)(7,8)/rA:29nCCCCCOCCCOCCCCCCOOCCOCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.55702
Area:616.694
Solvation:-7.86033
Coulombic:-43.6077
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:390.385
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.72
LogP (Chemaxon):2.85

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Descriptor Annotations

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