Chemical ID: 6633584

COc1ccc(cc1O)CCCCC(=O)O
Chemical ID:
6633584
Name [?]:
5-(3-hydroxy-4-methoxy-phenyl)pentanoic acid
SMILES [?]:
COc1ccc(cc1O)CCCCC(=O)O
InChi [?]:
InChI=1/C12H16O4/c1-16-11-7-6-9(8-10(11)13)4-2-3-5-12(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,13,5,4,7,6,8,3,14,9,15,16,2/E:(14,15)/rA:16nCOCCCCCCOCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;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:6.28121
Area:431.225
Solvation:-4.49942
Coulombic:-49.5825
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:224.253
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.27
LogP (Chemaxon):2.33

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Descriptor Annotations

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