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Chemical ID: 4157606
Chemical ID:
4157606
Name [?]:
1-(4-phenylphenoxy)propan-2-one
SMILES [?]:
CC(=O)COc1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C15H14O2/c1-12(16)11-17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,8,10,7,11,4,2,12,9,6,3,5/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCOCOCCCCCCCCCCCC/rB:s1;d2;s2;s4;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: | 6.22517 |
Area: | 426.672 |
Solvation: | -4.44162 |
Coulombic: | -15.4779 |
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: | 3.52 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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