Chemical ID: 6879619

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)C4CCCO4
Chemical ID:
6879619
Name [?]:
[2-(4-methoxyphenyl)-6-methyl-4-oxo-chromen-3-yl] tetrahydrofuran-2-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)C4CCCO4
InChi [?]:
InChI=1/C22H20O6/c1-13-5-10-17-16(12-13)19(23)21(28-22(24)18-4-3-11-26-18)20(27-17)14-6-8-15(25-2)9-7-14/h5-10,12,18H,3-4,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,26,25,3,14,18,15,17,4,27,7,2,13,16,6,5,24,8,11,10,22,9,23,19,28,12,21/E:(6,7)(8,9)/rA:28cCCCCCCCCOCCOCCCCCCOCOCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s22;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20O6
All Atoms:48
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.91338
Area:581.244
Solvation:-5.61772
Coulombic:-52.7124
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.391
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.18
LogP (Chemaxon):3.58

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Descriptor Annotations

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