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Chemical ID: 5058364
Chemical ID:
5058364
Name [?]:
(4-phenylphenyl) propanoate
SMILES [?]:
CCC(=O)Oc1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C15H14O2/c1-2-15(16)17-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,17,8,10,7,11,12,9,6,3,4,5/E:(4,5)(6,7)(8,9)(10,11)/rA:17nCCCOOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69548 |
Area: | 425.638 |
Solvation: | -1.94547 |
Coulombic: | -20.509 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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