ChemDB: Chemical Search
Download
Chemical ID: 6879782
Chemical ID:
6879782
Name [?]:
3-butoxy-2-(2-furyl)-6-methyl-chromen-4-one
SMILES [?]:
CCCCOc1c(=O)c2cc(ccc2oc1c3ccco3)C
InChi [?]:
InChI=1/C18H18O4/c1-3-4-9-21-18-16(19)13-11-12(2)7-8-14(13)22-17(18)15-6-5-10-20-15/h5-8,10-11H,3-4,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,3,19,18,12,13,4,20,10,11,9,14,17,7,16,6,8,21,5,15/rA:22nCCCCOCCOCCCCCCOCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d6s15;s16;d17;s18;d19;s17s20;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O4 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86204 |
Area: | 498.34 |
Solvation: | -3.59646 |
Coulombic: | -33.7485 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.36 |
LogP (Chemaxon): | 3.99 |
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 |
---|