Chemical ID: 4572911

Cc1ccccc1COc2ccc3c(c2)OC(=Cc4cccc(c4OC)OC)C3=O
Chemical ID:
4572911
Name [?]:
2-[(2,3-dimethoxyphenyl)methylene]-6-(o-tolylmethoxy)benzofuran-3-one
SMILES [?]:
Cc1ccccc1COc2ccc3c(c2)OC(=Cc4cccc(c4OC)OC)C3=O
InChi [?]:
InChI=1/C25H22O5/c1-16-7-4-5-8-18(16)15-29-19-11-12-20-22(14-19)30-23(24(20)26)13-17-9-6-10-21(27-2)25(17)28-3/h4-14H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,26,4,5,21,3,6,20,22,11,12,18,15,8,2,19,7,10,13,23,14,17,29,24,30,27,25,9,16/rA:30nCCCCCCCCOCCCCCCOCCCCCCCCOCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s24;s25;s23;s27;s13s17;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.98122
Area:634.621
Solvation:-5.88431
Coulombic:-41.9138
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:402.439
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.26
LogP (Chemaxon):4.82

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