ChemDB: Chemical Search
Download
Chemical ID: 6492951
Chemical ID:
6492951
Name [?]:
(2-hydroxy-4-pentoxy-phenyl)-phenyl-methanone
SMILES [?]:
CCCCCOc1ccc(c(c1)O)C(=O)c2ccccc2
InChi [?]:
InChI=1/C18H20O3/c1-2-3-7-12-21-15-10-11-16(17(19)13-15)18(20)14-8-5-4-6-9-14/h4-6,8-11,13,19H,2-3,7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,19,18,20,4,17,21,8,9,5,12,16,7,10,11,14,13,15,6/E:(5,6)(8,9)/rA:21nCCCCCOCCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s10;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4103 |
Area: | 513.655 |
Solvation: | -3.43109 |
Coulombic: | -34.9773 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 284.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.43 |
LogP (Chemaxon): | 4.98 |
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 |
---|