Chemical ID: 4157606

CC(=O)COc1ccc(cc1)c2ccccc2
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

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Descriptor Annotations

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