Chemical ID: 6669663

Cc1cccc(c1C=CC(=O)c2ccccc2)C
Chemical ID:
6669663
Name [?]:
3-(2,6-dimethylphenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
Cc1cccc(c1C=CC(=O)c2ccccc2)C
InChi [?]:
InChI=1/C17H16O/c1-13-7-6-8-14(2)16(13)11-12-17(18)15-9-4-3-5-10-15/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,15,14,16,4,3,5,13,17,8,9,2,6,12,7,10,11/E:(1,2)(4,5)(7,8)(9,10)(13,14)/rA:18nCCCCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s6;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.4246
Area:422.135
Solvation:-2.12877
Coulombic:-11.1819
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:236.308
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.72
LogP (Chemaxon):4.95

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