ChemDB: Chemical Search
Download
Chemical ID: 4143129
Chemical ID:
4143129
Name [?]:
7-benzyloxy-3-(2-methoxyphenyl)-chromen-4-one
SMILES [?]:
COc1ccccc1c2coc3cc(ccc3c2=O)OCc4ccccc4
InChi [?]:
InChI=1/C23H18O4/c1-25-21-10-6-5-9-18(21)20-15-27-22-13-17(11-12-19(22)23(20)24)26-14-16-7-3-2-4-8-16/h2-13,15H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,6,5,23,27,7,4,15,16,13,21,10,22,14,8,17,9,3,12,18,19,2,20,11/E:(3,4)(7,8)/rA:27nCOCCCCCCCCOCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16253 |
Area: | 572.332 |
Solvation: | -5.14576 |
Coulombic: | -32.8653 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.08 |
LogP (Chemaxon): | 5.13 |
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 |
---|