Chemical ID: 4261249

Cc1cc(c(c(c1)C)C=CC(=O)c2ccccc2)C
Chemical ID:
4261249
Name [?]:
1-phenyl-3-(2,4,6-trimethylphenyl)-prop-2-en-1-one
SMILES [?]:
Cc1cc(c(c(c1)C)C=CC(=O)c2ccccc2)C
InChi [?]:
InChI=1/C18H18O/c1-13-11-14(2)17(15(3)12-13)9-10-18(19)16-7-5-4-6-8-16/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,19,16,15,17,14,18,9,10,7,3,2,6,4,13,5,11,12/E:(2,3)(5,6)(7,8)(11,12)(14,15)/rA:19nCCCCCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.94912
Area:444.654
Solvation:-2.16722
Coulombic:-10.9253
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

Name Annotations

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Descriptor Annotations

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