Chemical ID: 7385564

Cc1c(ccc2c1OC(=Cc3ccc(cc3)OC)C2=O)OCC(=O)OC
Chemical ID:
7385564
Name [?]:
methyl 2-[2-[(4-methoxyphenyl)methylene]-7-methyl-3-oxo-benzofuran-6-yl]oxyacetate
SMILES [?]:
Cc1c(ccc2c1OC(=Cc3ccc(cc3)OC)C2=O)OCC(=O)OC
InChi [?]:
InChI=1/C20H18O6/c1-12-16(25-11-18(21)24-3)9-8-15-19(22)17(26-20(12)15)10-13-4-6-14(23-2)7-5-13/h4-10H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,26,12,16,13,15,5,4,10,22,2,11,14,6,3,9,23,19,7,24,20,17,25,21,8/E:(4,5)(6,7)/rA:26nCCCCCCCOCCCCCCCCOCCOOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s17;s6s9;d19;s3;s21;s22;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O6
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.461
Area:572.922
Solvation:-5.86204
Coulombic:-51.106
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:354.353
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.39
LogP (Chemaxon):2.87

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Descriptor Annotations

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