Chemical ID: 6919697

CC(=CCc1c(cc(c2c1oc(cc2=O)c3ccccc3)O)O)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue