Chemical ID: 3990186

CCOc1ccc(cc1)OCCCC(=O)O
Chemical ID:
3990186
Name [?]:
4-(4-ethoxyphenoxy)butanoic acid
SMILES [?]:
CCOc1ccc(cc1)OCCCC(=O)O
InChi [?]:
InChI=1/C12H16O4/c1-2-15-10-5-7-11(8-6-10)16-9-3-4-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,5,9,6,8,11,4,7,14,15,16,3,10/E:(5,6)(7,8)(13,14)/rA:16nCCOCCCCCCOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.39924
Area:435.551
Solvation:-4.48953
Coulombic:-40.0119
Bond Count [?]
All:16
Single:12
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:224.253
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.17
LogP (Chemaxon):1.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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