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Chemical ID: 7040257
Chemical ID:
7040257
Name [?]:
[2-methoxy-4-[3-oxo-3-(4-phenylphenyl)-prop-1-enyl]-phenyl] 3-phenylprop-2-enoate
SMILES [?]:
COc1cc(ccc1OC(=O)C=Cc2ccccc2)C=CC(=O)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C31H24O4/c1-34-30-22-24(13-20-29(30)35-31(33)21-14-23-8-4-2-5-9-23)12-19-28(32)27-17-15-26(16-18-27)25-10-6-3-7-11-25/h2-22H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,33,16,18,32,34,15,19,31,35,20,6,13,26,28,25,29,21,7,12,4,14,5,30,27,24,22,8,3,10,23,11,2,9/E:(4,5)(6,7)(8,9)(10,11)(15,16)(17,18)/rA:35nCOCCCCCCOCOCCCCCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s5;w20;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H24O4 |
All Atoms: | 59 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.8515 |
Area: | 753.987 |
Solvation: | -4.99818 |
Coulombic: | -40.613 |
Bond Count [?]
All: | 38 |
Single: | 22 |
Double: | 16 |
Rotors: | 9 |
Chiral: | 2 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 460.52 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.21 |
LogP (Chemaxon): | 7.26 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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