Chemical ID: 7007010

Cc1ccccc1Oc2ccc(cc2)OCC(=O)OC
Chemical ID:
7007010
Name [?]:
methyl 2-[4-(2-methylphenoxy)phenoxy]acetate
SMILES [?]:
Cc1ccccc1Oc2ccc(cc2)OCC(=O)OC
InChi [?]:
InChI=1/C16H16O4/c1-12-5-3-4-6-15(12)20-14-9-7-13(8-10-14)19-11-16(17)18-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,4,5,3,6,11,13,10,14,16,2,12,9,7,17,18,19,15,8/E:(7,8)(9,10)/rA:20nCCCCCCCOCCCCCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O4
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.65301
Area:476.601
Solvation:-4.26202
Coulombic:-35.098
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.296
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.35
LogP (Chemaxon):3.26

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