Chemical ID: 5058364

CCC(=O)Oc1ccc(cc1)c2ccccc2
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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