Chemical ID: 4143129

COc1ccccc1c2coc3cc(ccc3c2=O)OCc4ccccc4
Chemical ID:
4143129
Name [?]:
7-benzyloxy-3-(2-methoxyphenyl)-chromen-4-one
SMILES [?]:
COc1ccccc1c2coc3cc(ccc3c2=O)OCc4ccccc4
InChi [?]:
InChI=1/C23H18O4/c1-25-21-10-6-5-9-18(21)20-15-27-22-13-17(11-12-19(22)23(20)24)26-14-16-7-3-2-4-8-16/h2-13,15H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,6,5,23,27,7,4,15,16,13,21,10,22,14,8,17,9,3,12,18,19,2,20,11/E:(3,4)(7,8)/rA:27nCOCCCCCCCCOCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.16253
Area:572.332
Solvation:-5.14576
Coulombic:-32.8653
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:358.387
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.08
LogP (Chemaxon):5.13

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Experimental Annotations

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Descriptor Annotations

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