Chemical ID: 4665799

Cc1ccc(cc1)C=CC(=O)c2ccccc2
Chemical ID:
4665799
Name [?]:
1-phenyl-3-(p-tolyl)prop-2-en-1-one
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)c2ccccc2
InChi [?]:
InChI=1/C16H14O/c1-13-7-9-14(10-8-13)11-12-16(17)15-5-3-2-4-6-15/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,3,7,4,6,8,9,2,5,12,10,11/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.22259
Area:412.147
Solvation:-2.08108
Coulombic:-11.4998
Bond Count [?]
All:18
Single:10
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:222.282
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.28
LogP (Chemaxon):4.48

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue