ChemDB: Chemical Search
Download
Chemical ID: 7278605
Chemical ID:
7278605
Name [?]:
5-[(4,5-dimethoxy-2-methyl-phenyl)methoxy]benzo[1,3]dioxole
SMILES [?]:
Cc1cc(c(cc1COc2ccc3c(c2)OCO3)OC)OC
InChi [?]:
InChI=1/C17H18O5/c1-11-6-15(18-2)16(19-3)7-12(11)9-20-13-4-5-14-17(8-13)22-10-21-14/h4-8H,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,11,12,3,6,15,8,17,2,7,10,13,4,5,14,21,19,9,18,16/rA:22nCCCCCCCCOCCCCCCOCOOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s5;s19;s4;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18O5 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.64877 |
Area: | 495.988 |
Solvation: | -6.75092 |
Coulombic: | -37.9385 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 302.322 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.4 |
LogP (Chemaxon): | 3.22 |
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 |
---|