Chemical ID: 5218132

COc1cc(c2c(c1)OC(CC2=O)c3ccc(c(c3)OC)O)O
Chemical ID:
5218132
Name [?]:
5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chroman-4-one
SMILES [?]:
COc1cc(c2c(c1)OC(CC2=O)c3ccc(c(c3)OC)O)O
InChi [?]:
InChI=1/C17H16O6/c1-21-10-6-12(19)17-13(20)8-14(23-16(17)7-10)9-3-4-11(18)15(5-9)22-2/h3-7,14,18-19H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,15,16,19,4,8,11,14,3,17,5,12,10,18,7,6,22,23,13,2,20,9/rA:23cCOCCCCCCOCCCOCCCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s6s11;d12;s10;s14;d15;s16;d17;d14s18;s18;s20;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:4.92127
Area:498.809
Solvation:-7.54895
Coulombic:-59.8349
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.305
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.8
LogP (Chemaxon):2.42

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Descriptor Annotations

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