ChemDB: Chemical Search
Download
Chemical ID: 4146281
Chemical ID:
4146281
Name [?]:
[3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 3,4-dimethoxybenzoate
SMILES [?]:
Cc1cc(cc(c1)Oc2coc3cc(ccc3c2=O)OC(=O)c4ccc(c(c4)OC)OC)C
InChi [?]:
InChI=1/C26H22O7/c1-15-9-16(2)11-19(10-15)32-24-14-31-22-13-18(6-7-20(22)25(24)27)33-26(28)17-5-8-21(29-3)23(12-17)30-4/h5-14H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,33,32,30,24,15,16,25,3,7,5,28,13,10,2,4,23,14,6,17,26,12,27,9,18,21,19,22,31,29,11,8,20/E:(1,2)(10,11)(15,16)/rA:33nCCCCCCCOCCOCCCCCCCOOCOCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22O7 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1156 |
Area: | 685.003 |
Solvation: | -7.00949 |
Coulombic: | -58.0365 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 446.449 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.26 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|