Chemical ID: 4338150

CCOc1ccc(cc1)C=CC(=O)c2ccc(cc2)F
Chemical ID:
4338150
Name [?]:
3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-prop-2-en-1-one
SMILES [?]:
CCOc1ccc(cc1)C=CC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C17H15FO2/c1-2-20-16-10-3-13(4-11-16)5-12-17(19)14-6-8-15(18)9-7-14/h3-12H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,10,15,19,16,18,5,9,11,7,14,17,4,12,20,13,3/E:(3,4)(6,7)(8,9)(10,11)/rA:20nCCOCCCCCCCCCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15FO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.35319
Area:460.548
Solvation:-4.16052
Coulombic:-21.0251
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:270.298
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.35
LogP (Chemaxon):4.24

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