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Chemical ID: 4576481
Chemical ID:
4576481
Name [?]:
7-[(2,5-dimethylphenyl)methoxy]-3-(4-methoxyphenoxy)-chromen-4-one
SMILES [?]:
Cc1ccc(c(c1)COc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)OC)C
InChi [?]:
InChI=1/C25H22O5/c1-16-4-5-17(2)18(12-16)14-28-21-10-11-22-23(13-21)29-15-24(25(22)26)30-20-8-6-19(27-3)7-9-20/h4-13,15H,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,29,3,4,24,26,23,27,11,12,7,15,8,17,2,5,6,25,22,10,13,14,18,19,20,28,9,16,21/E:(6,7)(8,9)/rA:30nCCCCCCCCOCCCCCCOCCCOOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s13s18;d19;s18;s21;s22;d23;s24;d25;d22s26;s25;s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3006 |
Area: | 634.147 |
Solvation: | -5.55305 |
Coulombic: | -40.1806 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 402.439 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.9 |
LogP (Chemaxon): | 5.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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