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Chemical ID: 4237491
Chemical ID:
4237491
Name [?]:
7-methoxy-3-(4-methoxyphenoxy)-2-methyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OC)Oc3ccc(cc3)OC
InChi [?]:
InChI=1/C18H16O5/c1-11-18(23-13-6-4-12(20-2)5-7-13)17(19)15-9-8-14(21-3)10-16(15)22-11/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,14,18,20,17,21,8,7,10,2,19,16,9,6,11,4,3,5,22,13,12,15/E:(4,5)(6,7)/rA:23nCCCCOCCCCCCOOCOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s3;s15;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.27944 |
Area: | 495.308 |
Solvation: | -5.10326 |
Coulombic: | -38.6175 |
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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