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Chemical ID: 7040412
Chemical ID:
7040412
Name [?]:
[3-(3-oxo-3-phenyl-prop-1-enyl)phenyl] 5-benzyloxy-2-methyl-benzofuran-3-carboxylate
SMILES [?]:
Cc1c(c2cc(ccc2o1)OCc3ccccc3)C(=O)Oc4cccc(c4)C=CC(=O)c5ccccc5
InChi [?]:
InChI=1/C32H24O5/c1-22-31(28-20-26(16-18-30(28)36-22)35-21-24-9-4-2-5-10-24)32(34)37-27-14-8-11-23(19-27)15-17-29(33)25-12-6-3-7-13-25/h2-20H,21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,35,15,17,34,36,24,14,18,25,33,37,23,28,7,29,8,27,5,12,2,26,13,32,6,22,4,30,9,3,19,31,20,11,10,21/E:(4,5)(6,7)(9,10)(12,13)/rA:37nCCCCCCCCCOOCCCCCCCCOOCCCCCCCCCOCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s3;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;w28;s29;d30;s30;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H24O5 |
All Atoms: | 61 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.3919 |
Area: | 786.117 |
Solvation: | -5.26102 |
Coulombic: | -46.4463 |
Bond Count [?]
All: | 41 |
Single: | 25 |
Double: | 16 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 488.53 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.17 |
LogP (Chemaxon): | 7.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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