Chemical ID: 4177071

COc1ccc(cc1)C(=O)C=Cc2cccc3c2cccc3
Chemical ID:
4177071
Name [?]:
1-(4-methoxyphenyl)-3-(1-naphthyl)prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1)C(=O)C=Cc2cccc3c2cccc3
InChi [?]:
InChI=1/C20H16O2/c1-22-18-12-9-17(10-13-18)20(21)14-11-16-7-4-6-15-5-2-3-8-19(15)16/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,15,22,16,14,19,5,7,12,4,8,11,17,13,6,3,18,9,10,2/E:(9,10)(12,13)/rA:22nCOCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.43207
Area:484.285
Solvation:-3.67505
Coulombic:-18.5454
Bond Count [?]
All:24
Single:14
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:288.34
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.03
LogP (Chemaxon):4.76

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