Chemical ID: 5270530

c1ccc(cc1)COc2ccc3c(c2)OC(=Cc4ccco4)C3=O
Chemical ID:
5270530
Name [?]:
6-benzyloxy-2-(2-furylmethylene)benzofuran-3-one
SMILES [?]:
c1ccc(cc1)COc2ccc3c(c2)OC(=Cc4ccco4)C3=O
InChi [?]:
InChI=1/C20H14O4/c21-20-17-9-8-16(23-13-14-5-2-1-3-6-14)11-18(17)24-19(20)12-15-7-4-10-22-15/h1-12H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,20,3,5,19,10,11,21,14,17,7,4,18,9,12,13,16,23,24,22,8,15/E:(2,3)(5,6)/rA:24nCCCCCCCOCCCCCCOCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;w16;s17;d18;s19;d20;s18s21;s12s16;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.22433
Area:530.669
Solvation:-5.04239
Coulombic:-31.6008
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:318.323
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.96
LogP (Chemaxon):3.8

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Descriptor Annotations

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