Chemical ID: 5199463

CC1C(C(=C(C1=O)C)c2ccccc2)c3ccccc3
Chemical ID:
5199463
Name [?]:
2,5-dimethyl-3,4-diphenyl-cyclopent-2-en-1-one
SMILES [?]:
CC1C(C(=C(C1=O)C)c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C19H18O/c1-13-17(15-9-5-3-6-10-15)18(14(2)19(13)20)16-11-7-4-8-12-16/h3-13,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,18,12,17,19,11,13,16,20,10,14,2,5,15,9,3,4,6,7/E:(5,6)(7,8)(9,10)(11,12)/rA:20cCCCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s2s5;d6;s5;s4;s9;d10;s11;d12;d9s13;s3;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:9.37738
Area:450.92
Solvation:-1.89562
Coulombic:-11.7842
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:262.346
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.65
LogP (Chemaxon):4.97

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