Chemical ID: 4575016

COc1cccc(c1)Oc2coc3cc(ccc3c2=O)OCc4ccccc4
Chemical ID:
4575016
Name [?]:
7-benzyloxy-3-(3-methoxyphenoxy)-chromen-4-one
SMILES [?]:
COc1cccc(c1)Oc2coc3cc(ccc3c2=O)OCc4ccccc4
InChi [?]:
InChI=1/C23H18O5/c1-25-17-8-5-9-19(12-17)28-22-15-27-21-13-18(10-11-20(21)23(22)24)26-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,5,24,28,4,6,16,17,8,14,22,11,23,3,15,7,18,13,10,19,20,2,21,12,9/E:(3,4)(6,7)/rA:28nCOCCCCCCOCCOCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;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:9.21262
Area:595.259
Solvation:-5.66886
Coulombic:-40.6
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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