Chemical ID: 4259586

CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl
Chemical ID:
4259586
Name [?]:
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoic acid
SMILES [?]:
CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,17,21,10,12,18,20,9,13,16,11,19,8,14,4,2,22,15,5,6,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(20,21)/rA:22nCCCCOOOCCCCCCCOCCCCCCCl/rB:s1;s2;s2;d4;s4;s2;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.85126
Area:509.3
Solvation:-3.88123
Coulombic:-46.4441
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.751
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):3.82

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