ChemDB: Chemical Search
Download
Chemical ID: 5180050
Chemical ID:
5180050
Name [?]:
(4-phenylphenyl) 2-methylpropanoate
SMILES [?]:
CC(C)C(=O)Oc1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C16H16O2/c1-12(2)16(17)18-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,15,17,14,18,9,11,8,12,2,13,10,7,4,5,6/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:18nCCCCOOCCCCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27523 |
Area: | 445.423 |
Solvation: | -1.86033 |
Coulombic: | -21.2341 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 240.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.29 |
LogP (Chemaxon): | 4.42 |
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 |
---|