Chemical ID: 4515959

Cc1ccccc1OCC(=O)Oc2ccc(cc2)Cl
Chemical ID:
4515959
Name [?]:
(4-chlorophenyl) 2-(2-methylphenoxy)acetate
SMILES [?]:
Cc1ccccc1OCC(=O)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H13ClO3/c1-11-4-2-3-5-14(11)18-10-15(17)19-13-8-6-12(16)7-9-13/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,15,17,14,18,9,2,16,13,7,10,19,11,8,12/E:(6,7)(8,9)/rA:19nCCCCCCCOCCOOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.69333
Area:478.323
Solvation:-3.26474
Coulombic:-28.4313
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.715
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):4.03

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