Chemical ID: 4585852

c1ccc(cc1)C=CC(=O)c2ccccc2O
Chemical ID:
4585852
Name [?]:
1-(2-hydroxyphenyl)-3-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C=CC(=O)c2ccccc2O
InChi [?]:
InChI=1/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,3,5,12,15,7,8,4,11,16,9,17,10/E:(2,3)(6,7)/rA:17nCCCCCCCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.52316
Area:398.952
Solvation:-3.45065
Coulombic:-25.964
Bond Count [?]
All:18
Single:10
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:224.255
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.87
LogP (Chemaxon):4.38

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