Chemical ID: 7040457

Cc1ccc(cc1)C(=O)C=Cc2ccccc2OC(=O)c3c(oc4c3cc(cc4)OCc5ccccc5)C
Chemical ID:
7040457
Name [?]:
[2-[3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 5-benzyloxy-2-methyl-benzofuran-3-carboxylate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2ccccc2OC(=O)c3c(oc4c3cc(cc4)OCc5ccccc5)C
InChi [?]:
InChI=1/C33H26O5/c1-22-12-14-25(15-13-22)29(34)18-16-26-10-6-7-11-30(26)38-33(35)32-23(2)37-31-19-17-27(20-28(31)32)36-21-24-8-4-3-5-9-24/h3-20H,21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,38,35,34,36,14,15,33,37,13,16,3,7,4,6,11,28,10,29,26,31,2,22,32,5,12,27,25,8,17,24,21,19,9,20,30,23,18/E:(4,5)(8,9)(12,13)(14,15)/rA:38nCCCCCCCCOCCCCCCCCOCOCCOCCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;d21;s22;s23;s21s24;d25;s26;d27;d24s28;s27;s30;s31;s32;d33;s34;d35;d32s36;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H26O5
All Atoms:64
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:15.0206
Area:801.898
Solvation:-5.0268
Coulombic:-46.8366
Bond Count [?]
All:42
Single:26
Double:16
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:502.557
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.61
LogP (Chemaxon):7.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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