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Chemical ID: 5270530
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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