Chemical ID: 4149034

COc1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCC(=O)OCc4ccccc4
Chemical ID:
4149034
Name [?]:
benzyl 2-[3-(4-methoxyphenoxy)-4-oxo-chromen-7-yl]oxyacetate
SMILES [?]:
COc1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCC(=O)OCc4ccccc4
InChi [?]:
InChI=1/C25H20O7/c1-28-18-7-9-19(10-8-18)32-23-15-30-22-13-20(11-12-21(22)25(23)27)29-16-24(26)31-14-17-5-3-2-4-6-17/h2-13,15H,14,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,30,29,31,28,32,4,8,5,7,16,17,14,26,11,22,27,3,6,15,18,13,10,23,19,24,20,2,21,12,25,9/E:(3,4)(5,6)(7,8)(9,10)/rA:32nCOCCCCCCOCCOCCCCCCCOOCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20O7
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:9.83768
Area:680.147
Solvation:-7.166
Coulombic:-58.953
Bond Count [?]
All:35
Single:23
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:432.422
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.73
LogP (Chemaxon):4.44

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Descriptor Annotations

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