Chemical ID: 5162137

Cc1ccc(cc1)OCCOc2ccc(cc2)C(=O)O
Chemical ID:
5162137
Name [?]:
4-[2-(4-methylphenoxy)ethoxy]benzoic acid
SMILES [?]:
Cc1ccc(cc1)OCCOc2ccc(cc2)C(=O)O
InChi [?]:
InChI=1/C16H16O4/c1-12-2-6-14(7-3-12)19-10-11-20-15-8-4-13(5-9-15)16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,7,14,16,4,6,13,17,9,10,2,15,5,12,18,19,20,8,11/E:(2,3)(4,5)(6,7)(8,9)(17,18)/rA:20nCCCCCCCOCCOCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.4748
Area:486.2
Solvation:-4.6802
Coulombic:-43.2041
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.296
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.45
LogP (Chemaxon):3.39

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