Chemical ID: 7977195

Cc1ccc(c(c1)OCCOc2ccc(cc2C(=O)O)Cl)C(C)C
Chemical ID:
7977195
Name [?]:
5-chloro-2-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]benzoic acid
SMILES [?]:
Cc1ccc(c(c1)OCCOc2ccc(cc2C(=O)O)Cl)C(C)C
InChi [?]:
InChI=1/C19H21ClO4/c1-12(2)15-6-4-13(3)10-18(15)24-9-8-23-17-7-5-14(20)11-16(17)19(21)22/h4-7,10-12H,8-9H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:23,24,1,3,14,4,13,10,9,7,16,22,2,15,5,17,12,6,18,21,19,20,11,8/E:(1,2)(21,22)/rA:24nCCCCCCCOCCOCCCCCCCOOClCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s15;s5;s22;s22;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0057,-.6883,-1.1997;.0244,-2.0706,-1.2107;.0391,-2.7719,-.0203;.0355,-2.0879,1.1864;.0229,-.7004,1.1947;.05,-2.7755,2.3585;.0418,-1.8046,3.407;.0574,-2.5163,4.7613;1.2887,-3.2256,4.9125;1.245,-3.8331,6.1247;.1289,-3.6899,6.9356;.0852,-4.3084,8.169;1.1536,-5.0762,8.6069;2.2709,-5.2293,7.8139;2.3252,-4.613,6.5605;3.5163,-4.7726,5.707;3.5598,-4.2353,4.618;4.5569,-5.5144,6.1343;1.0842,-5.8474,10.1607;.0585,-4.2788,-.033;-1.1875,-4.7988,-.7527;1.3107,-4.7665,-.7644;

Chemical Details

Atom Count
Formula:C19H21ClO4
All Atoms:45
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.13822
Area:575.683
Solvation:-5.25385
Coulombic:-42.7906
Bond Count [?]
All:46
Single:39
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:348.82
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.26
LogP (Chemaxon):5.11

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