Chemical ID: 4151203

COc1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCc4ccccc4
Chemical ID:
4151203
Name [?]:
7-benzyloxy-3-(4-methoxyphenoxy)-chromen-4-one
SMILES [?]:
COc1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCc4ccccc4
InChi [?]:
InChI=1/C23H18O5/c1-25-17-7-9-18(10-8-17)28-22-15-27-21-13-19(11-12-20(21)23(22)24)26-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,24,28,4,8,5,7,16,17,14,22,11,23,3,6,15,18,13,10,19,20,2,21,12,9/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCOCCCCCCOCCOCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.10932
Area:593.97
Solvation:-5.73992
Coulombic:-40.4142
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:374.386
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.02
LogP (Chemaxon):4.87

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Descriptor Annotations

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