ChemDB: Chemical Search
Download
Chemical ID: 5048193
Chemical ID:
5048193
Name [?]:
1-phenyloctan-2-ol
SMILES [?]:
CCCCCCC(Cc1ccccc1)O
InChi [?]:
InChI=1/C14H22O/c1-2-3-4-8-11-14(15)12-13-9-6-5-7-10-13/h5-7,9-10,14-15H,2-4,8,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,12,11,13,5,10,14,6,8,9,7,15/E:(6,7)(9,10)/rA:15cCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s7;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.95114 |
Area: | 433.33 |
Solvation: | -1.88209 |
Coulombic: | -20.0392 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 206.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.46 |
LogP (Chemaxon): | 4.23 |
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 |
---|