Chemical ID: 7371743

Cc1ccc(cc1)C(=O)C=Cc2cc(ccc2C)C
Chemical ID:
7371743
Name [?]:
3-(2,5-dimethylphenyl)-1-(p-tolyl)prop-2-en-1-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2cc(ccc2C)C
InChi [?]:
InChI=1/C18H18O/c1-13-5-8-16(9-6-13)18(19)11-10-17-12-14(2)4-7-15(17)3/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,15,3,7,16,4,6,11,10,13,2,14,17,5,12,8,9/E:(5,6)(8,9)/rA:19nCCCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O
All Atoms:37
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.9361
Area:472.904
Solvation:-1.88649
Coulombic:-11.7126
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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Experimental Annotations

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Descriptor Annotations

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