Chemical ID: 4350563

CCOc1cc(ccc1OCc2ccccc2Cl)C=CC(=O)c3ccccc3
Chemical ID:
4350563
Name [?]:
3-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]-1-phenyl-prop-2-en-1-one
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2Cl)C=CC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H21ClO3/c1-2-27-24-16-18(12-14-22(26)19-8-4-3-5-9-19)13-15-23(24)28-17-20-10-6-7-11-21(20)25/h3-16H,2,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,26,25,27,14,15,24,28,13,16,19,7,20,8,5,11,6,23,12,17,21,9,4,18,22,3,10/E:(4,5)(8,9)/rA:28nCCOCCCCCCOCCCCCCCClCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;w19;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21ClO3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.8398
Area:630.659
Solvation:-4.92666
Coulombic:-27.6422
Bond Count [?]
All:30
Single:19
Double:11
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:392.874
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.16
LogP (Chemaxon):6.14

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