Chemical ID: 4336801

c1ccc(cc1)COc2ccccc2C=CC(=O)c3ccc(cc3)Cl
Chemical ID:
4336801
Name [?]:
3-(2-benzyloxyphenyl)-1-(4-chlorophenyl)-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)COc2ccccc2C=CC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H17ClO2/c23-20-13-10-18(11-14-20)21(24)15-12-19-8-4-5-9-22(19)25-16-17-6-2-1-3-7-17/h1-15H,16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,3,5,13,10,20,24,15,21,23,16,7,4,19,14,22,17,9,25,18,8/E:(2,3)(6,7)(10,11)(13,14)/rA:25nCCCCCCCOCCCCCCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;w15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7528
Area:572.47
Solvation:-3.55897
Coulombic:-20.5894
Bond Count [?]
All:27
Single:16
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:348.822
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.09
LogP (Chemaxon):6.06

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