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Chemical ID: 4390202
Chemical ID:
4390202
Name [?]:
6-ethyl-7-methoxy-2-methyl-3-phenoxy-chromen-4-one
SMILES [?]:
CCc1cc2c(cc1OC)oc(c(c2=O)Oc3ccccc3)C
InChi [?]:
InChI=1/C19H18O4/c1-4-13-10-15-17(11-16(13)21-3)22-12(2)19(18(15)20)23-14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,10,2,20,19,21,18,22,4,7,12,3,17,5,8,6,14,13,15,9,11,16/E:(6,7)(8,9)/rA:23nCCCCCCCCOCOCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s5s13;d14;s13;s16;s17;d18;s19;d20;d17s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86737 |
Area: | 499.769 |
Solvation: | -3.62685 |
Coulombic: | -32.9733 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.344 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.33 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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