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Chemical ID: 6520370
Chemical ID:
6520370
Name [?]:
4-[(4-chlorophenyl)methoxy]-3-ethoxy-benzoic acid
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C(=O)O
InChi [?]:
InChI=1/C16H15ClO4/c1-2-20-15-9-12(16(18)19)5-8-14(15)21-10-11-3-6-13(17)7-4-11/h3-9H,2,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,13,17,7,14,16,8,5,11,12,6,15,9,4,19,18,20,21,3,10/E:(3,4)(6,7)(18,19)/rA:21nCCOCCCCCCOCCCCCCCClCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05297 |
Area: | 520.68 |
Solvation: | -4.96403 |
Coulombic: | -43.4736 |
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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