ChemDB: Chemical Search
Download
Chemical ID: 4571810
Chemical ID:
4571810
Name [?]:
methyl 4-[[3-(4-methoxyphenoxy)-2-methyl-4-oxo-chromen-7-yl]oxymethyl]benzoate
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OCc3ccc(cc3)C(=O)OC)Oc4ccc(cc4)OC
InChi [?]:
InChI=1/C26H22O7/c1-16-25(33-20-10-8-19(29-2)9-11-20)24(27)22-13-12-21(14-23(22)32-16)31-15-17-4-6-18(7-5-17)26(28)30-3/h4-14H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,24,16,20,17,19,28,30,27,31,8,7,10,14,2,15,18,29,26,9,6,11,4,3,21,5,22,32,23,13,12,25/E:(4,5)(6,7)(8,9)(10,11)/rA:33nCCCCOCCCCCCOOCCCCCCCCOOCOCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s3;s25;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22O7 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7838 |
Area: | 687.727 |
Solvation: | -6.40935 |
Coulombic: | -59.5926 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 446.449 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.2 |
LogP (Chemaxon): | 4.43 |
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 |
---|