Chemical ID: 4743282

Cc1ccc(cc1)C2CC(=O)c3ccccc3O2
Chemical ID:
4743282
Name [?]:
2-(p-tolyl)chroman-4-one
SMILES [?]:
Cc1ccc(cc1)C2CC(=O)c3ccccc3O2
InChi [?]:
InChI=1/C16H14O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-9,16H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,3,7,4,6,9,2,5,12,10,17,8,11,18/E:(6,7)(8,9)/rA:18cCCCCCCCCCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.10817
Area:418.981
Solvation:-2.36635
Coulombic:-18.1574
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:238.281
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.65
LogP (Chemaxon):3.31

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