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Chemical ID: 6919697
Chemical ID:
6919697
Name [?]:
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chromen-4-one
SMILES [?]:
CC(=CCc1c(cc(c2c1oc(cc2=O)c3ccccc3)O)O)C
InChi [?]:
InChI=1/C20H18O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10-11,21-22H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,19,18,20,17,21,3,4,7,13,2,16,5,6,8,14,12,9,10,23,22,15,11/E:(1,2)(4,5)(6,7)/rA:24nCCCCCCCCCCOCCCOCCCCCCOOC/rB:s1;d2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s9s13;d14;s12;s16;d17;s18;d19;d16s20;s8;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18O4 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02735 |
Area: | 518.684 |
Solvation: | -3.93975 |
Coulombic: | -48.8857 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 322.355 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.49 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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