Chemical ID: 4572457

Cc1ccccc1COc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)OC
Chemical ID:
4572457
Name [?]:
3-(4-methoxyphenoxy)-7-(o-tolylmethoxy)chromen-4-one
SMILES [?]:
Cc1ccccc1COc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)OC
InChi [?]:
InChI=1/C24H20O5/c1-16-5-3-4-6-17(16)14-27-20-11-12-21-22(13-20)28-15-23(24(21)25)29-19-9-7-18(26-2)8-10-19/h3-13,15H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,4,5,3,6,24,26,23,27,11,12,15,8,17,2,7,25,22,10,13,14,18,19,20,28,9,16,21/E:(7,8)(9,10)/rA:29nCCCCCCCCOCCCCCCOCCCOOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s13s18;d19;s18;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.68706
Area:608.342
Solvation:-5.52148
Coulombic:-40.432
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.413
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.46
LogP (Chemaxon):5.34

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Descriptor Annotations

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