Chemical ID: 4576481

Cc1ccc(c(c1)COc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)OC)C
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

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Experimental Annotations

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Descriptor Annotations

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