Chemical ID: 7154919

CCOc1cccc(c1OCc2ccc(cc2)Cl)C(=O)O
Chemical ID:
7154919
Name [?]:
2-[(4-chlorophenyl)methoxy]-3-ethoxy-benzoic acid
SMILES [?]:
CCOc1cccc(c1OCc2ccc(cc2)Cl)C(=O)O
InChi [?]:
InChI=1/C16H15ClO4/c1-2-20-14-5-3-4-13(16(18)19)15(14)21-10-11-6-8-12(17)9-7-11/h3-9H,2,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,13,17,14,16,11,12,15,8,4,9,19,18,20,21,3,10/E:(6,7)(8,9)(18,19)/rA:21nCCOCCCCCCOCCCCCCCClCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s8;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClO4
All Atoms:36
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.94559
Area:500.455
Solvation:-4.56579
Coulombic:-44.1195
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:306.741
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.95
LogP (Chemaxon):3.69

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