Chemical ID: 7048153

CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OC
Chemical ID:
7048153
Name [?]:
2-[(2-ethoxyphenyl)methylene]-6-methoxy-benzofuran-3-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OC
InChi [?]:
InChI=1/C18H16O4/c1-3-21-15-7-5-4-6-12(15)10-17-18(19)14-9-8-13(20-2)11-16(14)22-17/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,7,6,8,5,16,15,10,18,9,17,14,4,19,11,12,13,21,3,20/rA:22nCCOCCCCCCCCCOCCCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O4
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.47629
Area:503.518
Solvation:-4.11165
Coulombic:-33.2488
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:296.317
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.88
LogP (Chemaxon):3.17

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