3-hydroxy-4-thiophen-2-yloxybutanoic acid

C8H10O4S — CID 69271793

IUPAC3-hydroxy-4-thiophen-2-yloxybutanoic acid
SMILESO=C(O)CC(O)COc1cccs1
InChIInChI=1S/C8H10O4S/c9-6(4-7(10)11)5-12-8-2-1-3-13-8/h1-3,6,9H,4-5H2,(H,10,11)
InChIKeyCLOCDMDCPHKJSI-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.96
Rot. Bonds5

About 3-hydroxy-4-thiophen-2-yloxybutanoic acid

3-hydroxy-4-thiophen-2-yloxybutanoic acid (PubChem CID 69271793) has the molecular formula C8H10O4S and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-hydroxy-4-thiophen-2-yloxybutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-thiophen-2-yloxybutanoic acid
PubChem CID69271793
Molecular FormulaC8H10O4S
Molecular Weight202.23 g/mol
Exact Mass202.03
IUPAC Name3-hydroxy-4-thiophen-2-yloxybutanoic acid
SMILESO=C(O)CC(O)COc1cccs1
InChIInChI=1S/C8H10O4S/c9-6(4-7(10)11)5-12-8-2-1-3-13-8/h1-3,6,9H,4-5H2,(H,10,11)
InChIKeyCLOCDMDCPHKJSI-UHFFFAOYSA-N
XLogP0.96
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-thiophen-2-yloxypropane-1,2-diol
CID 13088133
dithiophen-2-yl 2-hydroxybutanedioate
CID 174458468
11-thiophen-2-yloxyundecanoic acid
CID 69270363
4-(3-bromophenoxy)-3-hydroxybutanoic acid
CID 82093685
4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid
CID 156789999
6-chloro-3-hydroxy-6-thiophen-2-ylsulfonylhexanoic acid
CID 22568718
3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid
CID 138556055
(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
4,4,4-trichloro-3-thiophen-2-ylbutanoic acid
CID 70594713
thiophen-2-yl 4-sulfanylbutanoate
CID 87508338
thiophen-2-yl acetate
CID 23617313

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-thiophen-2-yloxybutanoic acid?
The IUPAC name of 3-hydroxy-4-thiophen-2-yloxybutanoic acid (CID 69271793) is 3-hydroxy-4-thiophen-2-yloxybutanoic acid.
What is the SMILES notation for 3-hydroxy-4-thiophen-2-yloxybutanoic acid?
The canonical SMILES for 3-hydroxy-4-thiophen-2-yloxybutanoic acid is O=C(O)CC(O)COc1cccs1.
What is the InChIKey of 3-hydroxy-4-thiophen-2-yloxybutanoic acid?
The InChIKey is CLOCDMDCPHKJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S/c9-6(4-7(10)11)5-12-8-2-1-3-13-8/h1-3,6,9H,4-5H2,(H,10,11).
What are the key properties of 3-hydroxy-4-thiophen-2-yloxybutanoic acid?
3-hydroxy-4-thiophen-2-yloxybutanoic acid has a molecular weight of 202.23 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-thiophen-2-yloxybutanoic acid is sourced from PubChem (CID 69271793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).