Chemical ID: 6663757

Cc1ccc(cc1)C=CC(=O)c2ccc(cc2C)C
Chemical ID:
6663757
Name [?]:
1-(2,4-dimethylphenyl)-3-(p-tolyl)prop-2-en-1-one
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)c2ccc(cc2C)C
InChi [?]:
InChI=1/C18H18O/c1-13-4-7-16(8-5-13)9-11-18(19)17-10-6-14(2)12-15(17)3/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,3,7,14,4,6,8,13,9,16,2,15,17,5,12,10,11/E:(4,5)(7,8)/rA:19nCCCCCCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.16579
Area:445.587
Solvation:-1.97388
Coulombic:-11.1761
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:250.335
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.16
LogP (Chemaxon):5.41

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