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Chemical ID: 4347474
Chemical ID:
4347474
Name [?]:
3-(2-methoxyphenyl)-1-(4-phenylphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccccc1C=CC(=O)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C22H18O2/c1-24-22-10-6-5-9-20(22)15-16-21(23)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,6,5,20,24,7,4,15,17,14,18,9,10,19,16,13,8,11,3,12,2/E:(3,4)(7,8)(11,12)(13,14)/rA:24nCOCCCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67767 |
Area: | 531.585 |
Solvation: | -3.61196 |
Coulombic: | -19.8922 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 314.377 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.7 |
LogP (Chemaxon): | 5.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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