ChemDB: Chemical Search
Download
Chemical ID: 6902023
Chemical ID:
6902023
Name [?]:
1-(4-methoxyphenyl)-4-methyl-benzene
SMILES [?]:
Cc1ccc(cc1)c2ccc(cc2)OC
InChi [?]:
InChI=1/C14H14O/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,3,7,4,6,9,13,10,12,2,5,8,11,14/E:(3,4)(5,6)(7,8)(9,10)/rA:15nCCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14O |
All Atoms: | 29 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.36016 |
Area: | 383.255 |
Solvation: | -2.22123 |
Coulombic: | -9.82859 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.31 |
LogP (Chemaxon): | 3.95 |
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 |
---|