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Chemical ID: 7154942
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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Experimental Annotations
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Descriptor Annotations
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