Chemical ID: 7154942

CCOc1cccc(c1OCc2ccccc2Cl)C(=O)O
Chemical ID:
7154942
Name [?]:
2-[(2-chlorophenyl)methoxy]-3-ethoxy-benzoic acid
SMILES [?]:
CCOc1cccc(c1OCc2ccccc2Cl)C(=O)O
InChi [?]:
InChI=1/C16H15ClO4/c1-2-20-14-9-5-7-12(16(18)19)15(14)21-10-11-6-3-4-8-13(11)17/h3-9H,2,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,6,13,7,16,5,11,12,8,17,4,9,19,18,20,21,3,10/E:(18,19)/rA:21nCCOCCCCCCOCCCCCCCClCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s8;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClO4
All Atoms:36
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.186
Area:496.298
Solvation:-4.22146
Coulombic:-44.5499
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

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Descriptor Annotations

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