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Chemical ID: 4117469
Chemical ID:
4117469
Name [?]:
1-(4-benzyloxyphenyl)ethanone
SMILES [?]:
CC(=O)c1ccc(cc1)OCc2ccccc2
InChi [?]:
InChI=1/C15H14O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,5,9,6,8,11,2,12,4,7,3,10/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCOCCCCCCOCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38234 |
Area: | 427.869 |
Solvation: | -3.31438 |
Coulombic: | -17.1024 |
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: | 3.49 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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