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Chemical ID: 6879619
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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