Chemical ID: 5581586

COc1cc2c(c(=O)cc(o2)c3ccccc3)c(c1OC)O
Chemical ID:
5581586
Name [?]:
5-hydroxy-6,7-dimethoxy-2-phenyl-chromen-4-one
SMILES [?]:
COc1cc2c(c(=O)cc(o2)c3ccccc3)c(c1OC)O
InChi [?]:
InChI=1/C17H14O5/c1-20-14-9-13-15(16(19)17(14)21-2)11(18)8-12(22-13)10-6-4-3-5-7-10/h3-9,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,15,14,16,13,17,9,4,12,7,10,5,3,6,18,19,8,22,2,20,11/E:(4,5)(6,7)/rA:22nCOCCCCCOCCOCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;d7;s7;d9;s5s10;s10;s12;d13;s14;d15;d12s16;d6;d3s18;s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.62013
Area:477.113
Solvation:-6.3077
Coulombic:-45.6162
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.29
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.79
LogP (Chemaxon):3.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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