2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid

C14H14O3S — CID 139966459

IUPAC2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid
SMILESO=C(O)C(O)C(Cc1ccccc1)c1ccsc1
InChIInChI=1S/C14H14O3S/c15-13(14(16)17)12(11-6-7-18-9-11)8-10-4-2-1-3-5-10/h1-7,9,12-13,15H,8H2,(H,16,17)
InChIKeyIHONIELUPNIGSL-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.52
Rot. Bonds5

About 2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid

2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid (PubChem CID 139966459) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid
PubChem CID139966459
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid
SMILESO=C(O)C(O)C(Cc1ccccc1)c1ccsc1
InChIInChI=1S/C14H14O3S/c15-13(14(16)17)12(11-6-7-18-9-11)8-10-4-2-1-3-5-10/h1-7,9,12-13,15H,8H2,(H,16,17)
InChIKeyIHONIELUPNIGSL-UHFFFAOYSA-N
XLogP2.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-bromo-2-thiophen-3-ylacetic acid
CID 124578230
(2S,3R)-2-benzyl-3-hydroxybutanedioic acid
CID 10944089
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
CID 123932531
2-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-thiophen-3-ylacetic acid
CID 18793946
(2-phenyl-1-thiophen-3-ylethyl)hydrazine
CID 105195136
2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 62843528
(1S)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol
CID 97232550
(1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol
CID 97232548
3-benzyl-4-ethoxy-2-hydroxy-4-oxobutanoic acid
CID 69330508

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid?
The IUPAC name of 2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid (CID 139966459) is 2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid.
What is the SMILES notation for 2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid?
The canonical SMILES for 2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid is O=C(O)C(O)C(Cc1ccccc1)c1ccsc1.
What is the InChIKey of 2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid?
The InChIKey is IHONIELUPNIGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c15-13(14(16)17)12(11-6-7-18-9-11)8-10-4-2-1-3-5-10/h1-7,9,12-13,15H,8H2,(H,16,17).
What are the key properties of 2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid?
2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid has a molecular weight of 262.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid is sourced from PubChem (CID 139966459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).