Chemical ID: 4733853

COc1cccc(c1)C=CC(=O)c2ccccc2
Chemical ID:
4733853
Name [?]:
3-(3-methoxyphenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
COc1cccc(c1)C=CC(=O)c2ccccc2
InChi [?]:
InChI=1/C16H14O2/c1-18-15-9-5-6-13(12-15)10-11-16(17)14-7-3-2-4-8-14/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,5,6,14,18,4,9,10,8,7,13,3,11,12,2/E:(3,4)(7,8)/rA:18nCOCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.19396
Area:428.252
Solvation:-3.51235
Coulombic:-18.0196
Bond Count [?]
All:19
Single:11
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:238.281
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.76
LogP (Chemaxon):3.76

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