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Chemical ID: 4287115
Chemical ID:
4287115
Name [?]:
methyl 4-[3-(4-ethoxyphenyl)-3-oxo-prop-1-enyl]benzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)C=Cc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C19H18O4/c1-3-23-17-11-9-15(10-12-17)18(20)13-6-14-4-7-16(8-5-14)19(21)22-2/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,15,19,13,16,18,6,8,5,9,12,14,7,17,4,10,20,11,21,22,3/E:(4,5)(7,8)(9,10)(11,12)/rA:23nCCOCCCCCCCOCCCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.23961 |
Area: | 534.629 |
Solvation: | -4.1261 |
Coulombic: | -37.193 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 310.344 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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