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Chemical ID: 4574189
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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