4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid

C15H16O4S — CID 25178168

IUPAC4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid
SMILESO=C(O)CCC(O)c1ccc(OCc2cccs2)cc1
InChIInChI=1S/C15H16O4S/c16-14(7-8-15(17)18)11-3-5-12(6-4-11)19-10-13-2-1-9-20-13/h1-6,9,14,16H,7-8,10H2,(H,17,18)
InChIKeyQOFGEOGGXJZVJC-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.23
Rot. Bonds7

About 4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid

4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid (PubChem CID 25178168) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid
PubChem CID25178168
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid
SMILESO=C(O)CCC(O)c1ccc(OCc2cccs2)cc1
InChIInChI=1S/C15H16O4S/c16-14(7-8-15(17)18)11-3-5-12(6-4-11)19-10-13-2-1-9-20-13/h1-6,9,14,16H,7-8,10H2,(H,17,18)
InChIKeyQOFGEOGGXJZVJC-UHFFFAOYSA-N
XLogP3.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
CID 8621628
[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8621627
4-(thiophen-2-ylmethoxy)pentanoic acid
CID 62215052
4-hydroxy-4-(4-phenoxyphenyl)butanoic acid
CID 43209399
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
(1S)-1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78933301
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299
N-methyl-4-(thiophen-2-ylmethoxy)aniline
CID 61027856
N-[4-(thiophen-2-ylmethoxy)phenyl]formamide
CID 168653382

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid?
The IUPAC name of 4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid (CID 25178168) is 4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid.
What is the SMILES notation for 4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid?
The canonical SMILES for 4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid is O=C(O)CCC(O)c1ccc(OCc2cccs2)cc1.
What is the InChIKey of 4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid?
The InChIKey is QOFGEOGGXJZVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c16-14(7-8-15(17)18)11-3-5-12(6-4-11)19-10-13-2-1-9-20-13/h1-6,9,14,16H,7-8,10H2,(H,17,18).
What are the key properties of 4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid?
4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid has a molecular weight of 292.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid is sourced from PubChem (CID 25178168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).