Chemical ID: 5246173

CC1(C=Cc2cc3ccc(=O)oc3c(c2O1)OC)C
Chemical ID:
5246173
Name [?]:
None
SMILES [?]:
CC1(C=Cc2cc3ccc(=O)oc3c(c2O1)OC)C
InChi [?]:
InChI=1/C15H14O4/c1-15(2)7-6-10-8-9-4-5-11(16)18-12(9)14(17-3)13(10)19-15/h4-8H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,8,9,4,3,6,7,5,10,13,15,14,2,11,17,12,16/E:(1,2)/rA:19nCCCCCCCCCCOOCCCOOCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s10;s7s12;d13;d5s14;s2s15;s14;s17;s2;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.4689
Area:413.464
Solvation:-4.8677
Coulombic:-34.3104
Bond Count [?]
All:21
Single:15
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:258.269
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.53
LogP (Chemaxon):2.36

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