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Chemical ID: 4732683
Chemical ID:
4732683
Name [?]:
1-(2-benzyloxyphenyl)-3-(3-methoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1cccc(c1)C=CC(=O)c2ccccc2OCc3ccccc3
InChi [?]:
InChI=1/C23H20O3/c1-25-20-11-7-10-18(16-20)14-15-22(24)21-12-5-6-13-23(21)26-17-19-8-3-2-4-9-19/h2-16H,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,15,16,5,22,26,6,4,14,17,9,10,8,20,7,21,3,13,11,18,12,2,19/E:(3,4)(8,9)/rA:26nCOCCCCCCCCCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42332 |
Area: | 548.514 |
Solvation: | -6.28953 |
Coulombic: | -24.687 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 344.403 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.39 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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