Chemical ID: 6291098

COc1ccc(cc1)C2CC(=O)c3c(cc(cc3OC)OC)O2
Chemical ID:
6291098
Name [?]:
5,7-dimethoxy-2-(4-methoxyphenyl)-chroman-4-one
SMILES [?]:
COc1ccc(cc1)C2CC(=O)c3c(cc(cc3OC)OC)O2
InChi [?]:
InChI=1/C18H18O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,15H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,5,7,4,8,17,15,10,6,3,16,11,9,18,14,13,12,2,21,19,23/E:(4,5)(6,7)/rA:23cCOCCCCCCCCCOCCCCCCOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s9s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:5.4557
Area:499.884
Solvation:-7.04141
Coulombic:-35.3695
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.333
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.95
LogP (Chemaxon):2.08

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Experimental Annotations

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Descriptor Annotations

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