Chemical ID: 7048299

COc1cccc(c1)C=C2C(=O)c3ccc(cc3O2)OCc4ccccc4Cl
Chemical ID:
7048299
Name [?]:
6-[(2-chlorophenyl)methoxy]-2-[(3-methoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
COc1cccc(c1)C=C2C(=O)c3ccc(cc3O2)OCc4ccccc4Cl
InChi [?]:
InChI=1/C23H17ClO4/c1-26-17-7-4-5-15(11-17)12-22-23(25)19-10-9-18(13-21(19)28-22)27-14-16-6-2-3-8-20(16)24/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,25,5,6,23,4,26,15,14,8,9,17,21,7,22,3,16,13,27,18,10,11,28,12,2,20,19/rA:28nCOCCCCCCCCCOCCCCCCOOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s16;s20;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17ClO4
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0096
Area:616.112
Solvation:-4.39317
Coulombic:-35.1613
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:392.831
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.79
LogP (Chemaxon):5.12

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