Chemical ID: 7048626

COc1cccc(c1)COc2ccc3c(c2)OC(=Cc4ccc(cc4)Cl)C3=O
Chemical ID:
7048626
Name [?]:
2-[(4-chlorophenyl)methylene]-6-[(3-methoxyphenyl)methoxy]benzofuran-3-one
SMILES [?]:
COc1cccc(c1)COc2ccc3c(c2)OC(=Cc4ccc(cc4)Cl)C3=O
InChi [?]:
InChI=1/C23H17ClO4/c1-26-18-4-2-3-16(11-18)14-27-19-9-10-20-21(13-19)28-22(23(20)25)12-15-5-7-17(24)8-6-15/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,21,25,22,24,12,13,8,19,16,9,20,7,23,3,11,14,15,18,27,26,28,2,10,17/E:(5,6)(7,8)/rA:28nCOCCCCCCCOCCCCCCOCCCCCCCCClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s23;s14s18;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17ClO4
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.8413
Area:623.301
Solvation:-4.74123
Coulombic:-34.6826
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

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue