Chemical ID: 4557094

Cc1c(c(=O)c2ccc(cc2o1)O)Oc3ccc(cc3)OC
Chemical ID:
4557094
Name [?]:
7-hydroxy-3-(4-methoxyphenoxy)-2-methyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)O)Oc3ccc(cc3)OC
InChi [?]:
InChI=1/C17H14O5/c1-10-17(22-13-6-4-12(20-2)5-7-13)16(19)14-8-3-11(18)9-15(14)21-10/h3-9,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,8,17,19,16,20,7,10,2,9,18,15,6,11,4,3,13,5,21,12,14/E:(4,5)(6,7)/rA:22nCCCCOCCCCCCOOOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s3;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.11112
Area:474.197
Solvation:-4.74381
Coulombic:-47.27
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:298.29
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.23
LogP (Chemaxon):3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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