ChemDB: Chemical Search
Download
Chemical ID: 5225889
Chemical ID:
5225889
Name [?]:
4-allyl-2-(3-allyl-4-hydroxy-phenyl)-phenol
SMILES [?]:
C=CCc1ccc(c(c1)c2ccc(c(c2)CC=C)O)O
InChi [?]:
InChI=1/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
InChi Info:
AuxInfo=1/0/N:1,18,2,17,3,16,5,11,6,12,9,15,4,10,14,8,13,7,19,20/rA:20nCCCCCCCCCCCCCCCCCCOO/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s12;d13;d10s14;s14;s16;d17;s13;s7;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.44401 |
Area: | 482.572 |
Solvation: | -2.6203 |
Coulombic: | -37.5123 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 266.334 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 5.1 |
LogP (Chemaxon): | 5.25 |
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 |
---|