Chemical ID: 4574189

Cc1c(c(=O)c2ccc(cc2o1)OC)Oc3cccc(c3)OC
Chemical ID:
4574189
Name [?]:
7-methoxy-3-(3-methoxyphenoxy)-2-methyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OC)Oc3cccc(c3)OC
InChi [?]:
InChI=1/C18H16O5/c1-11-18(23-14-6-4-5-12(9-14)20-2)17(19)15-8-7-13(21-3)10-16(15)22-11/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,14,18,19,17,8,7,21,10,2,20,9,16,6,11,4,3,5,22,13,12,15/rA:23nCCCCOCCCCCCOOCOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s3;s15;s16;d17;s18;d19;d16s20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.24613
Area:494.961
Solvation:-5.12791
Coulombic:-38.7374
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:312.317
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.55
LogP (Chemaxon):3.11

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Descriptor Annotations

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