Chemical ID: 4347474

COc1ccccc1C=CC(=O)c2ccc(cc2)c3ccccc3
Chemical ID:
4347474
Name [?]:
3-(2-methoxyphenyl)-1-(4-phenylphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccccc1C=CC(=O)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C22H18O2/c1-24-22-10-6-5-9-20(22)15-16-21(23)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,6,5,20,24,7,4,15,17,14,18,9,10,19,16,13,8,11,3,12,2/E:(3,4)(7,8)(11,12)(13,14)/rA:24nCOCCCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.67767
Area:531.585
Solvation:-3.61196
Coulombic:-19.8922
Bond Count [?]
All:26
Single:15
Double:11
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:314.377
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.7
LogP (Chemaxon):5.44

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