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Chemical ID: 4387351
Chemical ID:
4387351
Name [?]:
7-methoxy-2-methyl-3-(4-propylphenoxy)-chromen-4-one
SMILES [?]:
CCCc1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OC)C
InChi [?]:
InChI=1/C20H20O4/c1-4-5-14-6-8-15(9-7-14)24-20-13(2)23-18-12-16(22-3)10-11-17(18)19(20)21/h6-12H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,2,3,5,9,6,8,17,18,15,12,4,7,16,19,14,20,11,21,22,13,10/E:(6,7)(8,9)/rA:24nCCCCCCCCCOCCOCCCCCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;s22;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45616 |
Area: | 528.808 |
Solvation: | -3.76405 |
Coulombic: | -33.1355 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.37 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.11 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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