Chemical ID: 5192862

c1ccc(cc1)OCCCOc2cccc(c2)C(=O)O
Chemical ID:
5192862
Name [?]:
3-(3-phenoxypropoxy)benzoic acid
SMILES [?]:
c1ccc(cc1)OCCCOc2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C16H16O4/c17-16(18)13-6-4-9-15(12-13)20-11-5-10-19-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,9,15,3,5,13,8,10,17,16,4,12,18,19,20,7,11/E:(2,3)(7,8)(17,18)/rA:20nCCCCCCOCCCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.95659
Area:496.134
Solvation:-4.44677
Coulombic:-43.6569
Bond Count [?]
All:21
Single:14
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.296
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.64
LogP (Chemaxon):2.98

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Descriptor Annotations

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