ChemDB: Chemical Search
Download
Chemical ID: 4555114
Chemical ID:
4555114
Name [?]:
7-benzyloxy-3-phenyl-6-propyl-chromen-4-one
SMILES [?]:
CCCc1cc2c(cc1OCc3ccccc3)occ(c2=O)c4ccccc4
InChi [?]:
InChI=1/C25H22O3/c1-2-9-20-14-21-24(15-23(20)27-16-18-10-5-3-6-11-18)28-17-22(25(21)26)19-12-7-4-8-13-19/h3-8,10-15,17H,2,9,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,26,14,16,25,27,3,13,17,24,28,5,8,11,19,12,23,4,6,20,9,7,21,22,10,18/E:(5,6)(7,8)(10,11)(12,13)/rA:28nCCCCCCCCCOCCCCCCCOCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s7;s18;d19;s6s20;d21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7333 |
Area: | 609.885 |
Solvation: | -3.51381 |
Coulombic: | -27.4214 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.44 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.42 |
LogP (Chemaxon): | 6.64 |
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 |
---|