Chemical ID: 4620371

COc1ccc(cc1OC)C(=O)C=Cc2ccccc2
Chemical ID:
4620371
Name [?]:
1-(3,4-dimethoxyphenyl)-3-phenyl-prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1OC)C(=O)C=Cc2ccccc2
InChi [?]:
InChI=1/C17H16O3/c1-19-16-11-9-14(12-17(16)20-2)15(18)10-8-13-6-4-3-5-7-13/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,17,19,16,20,14,5,13,4,7,15,6,11,3,8,12,2,9/E:(4,5)(6,7)/rA:20nCOCCCCCCOCCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.03856
Area:461.92
Solvation:-5.50945
Coulombic:-23.8081
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:268.307
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.41
LogP (Chemaxon):3.51

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