Chemical ID: 6520370

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C(=O)O
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

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