Chemical ID: 4566418

Cc1ccc(cc1)COc2ccc3c(c2)oc(c(c3=O)c4ccccc4OC)C
Chemical ID:
4566418
Name [?]:
3-(2-methoxyphenyl)-2-methyl-7-(p-tolylmethoxy)chromen-4-one
SMILES [?]:
Cc1ccc(cc1)COc2ccc3c(c2)oc(c(c3=O)c4ccccc4OC)C
InChi [?]:
InChI=1/C25H22O4/c1-16-8-10-18(11-9-16)15-28-19-12-13-21-23(14-19)29-17(2)24(25(21)26)20-6-4-5-7-22(20)27-3/h4-14H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,28,23,24,22,25,3,7,4,6,11,12,15,8,2,17,5,10,21,13,26,14,18,19,20,27,9,16/E:(8,9)(10,11)/rA:29nCCCCCCCCOCCCCCCOCCCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s13s18;d19;s18;s21;d22;s23;d24;d21s25;s26;s27;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.4873
Area:616.042
Solvation:-4.91379
Coulombic:-32.894
Bond Count [?]
All:32
Single:21
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.44
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.75
LogP (Chemaxon):5.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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