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Chemical ID: 7039260
Chemical ID:
7039260
Name [?]:
[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] benzoate
SMILES [?]:
COc1cccc(c1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H18O4/c1-26-21-9-5-6-17(16-21)10-15-22(24)18-11-13-20(14-12-18)27-23(25)19-7-3-2-4-8-19/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,5,6,23,27,4,9,14,18,15,17,10,8,7,13,22,16,3,11,20,12,21,2,19/E:(3,4)(7,8)(11,12)(13,14)/rA:27nCOCCCCCCCCCOCCCCCCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O4 |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.048 |
Area: | 611.42 |
Solvation: | -4.23755 |
Coulombic: | -38.7308 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 358.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.26 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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