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Chemical ID: 7310696
Chemical ID:
7310696
Name [?]:
1-benzo[1,3]dioxol-5-yl-3-(4-propoxyphenyl)-prop-2-en-1-one
SMILES [?]:
CCCOc1ccc(cc1)C=CC(=O)c2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C19H18O4/c1-2-11-21-16-7-3-14(4-8-16)5-9-17(20)15-6-10-18-19(12-15)23-13-22-18/h3-10,12H,2,11,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,9,11,16,6,10,12,17,3,20,22,8,15,5,13,18,19,14,4,23,21/E:(3,4)(7,8)/rA:23nCCCOCCCCCCCCCOCCCCCCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18O4 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.73696 |
Area: | 541.845 |
Solvation: | -4.80915 |
Coulombic: | -33.6302 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 310.344 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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