ChemDB: Chemical Search
Download
Chemical ID: 7048316
Chemical ID:
7048316
Name [?]:
6-[(4-chlorophenyl)methoxy]-2-(p-tolylmethylene)benzofuran-3-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)Cl
InChi [?]:
InChI=1/C23H17ClO3/c1-15-2-4-16(5-3-15)12-22-23(25)20-11-10-19(13-21(20)27-22)26-14-17-6-8-18(24)9-7-17/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,22,26,23,25,14,13,8,16,20,2,5,21,24,15,12,17,9,10,27,11,19,18/E:(2,3)(4,5)(6,7)(8,9)/rA:27nCCCCCCCCCCOCCCCCCOOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17ClO3 |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6987 |
Area: | 605.206 |
Solvation: | -3.43144 |
Coulombic: | -28.192 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 376.832 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.32 |
LogP (Chemaxon): | 5.84 |
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 |
---|