2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid

C12H14O3S — CID 117349355

IUPAC2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccccc1SC1CCC1
InChIInChI=1S/C12H14O3S/c13-11(12(14)15)9-6-1-2-7-10(9)16-8-4-3-5-8/h1-2,6-8,11,13H,3-5H2,(H,14,15)
InChIKeyWSDCYNCQEFQKFM-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid

2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid (PubChem CID 117349355) has the molecular formula C12H14O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid
PubChem CID117349355
Molecular FormulaC12H14O3S
Molecular Weight238.31 g/mol
Exact Mass238.07
IUPAC Name2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccccc1SC1CCC1
InChIInChI=1S/C12H14O3S/c13-11(12(14)15)9-6-1-2-7-10(9)16-8-4-3-5-8/h1-2,6-8,11,13H,3-5H2,(H,14,15)
InChIKeyWSDCYNCQEFQKFM-UHFFFAOYSA-N
XLogP2.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
CID 66680296
2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
CID 66679588
2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid
CID 117428997
(1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
CID 78951607
1-(2-cyclobutylsulfanylphenyl)propan-2-one
CID 84686139
2-cyclobutylsulfanylbenzaldehyde
CID 84664309
CID 70117604
CID 70117604
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
2-[2,3-bis(methylsulfanyl)phenyl]-2-hydroxyacetic acid
CID 117362892
2-(3-methylcyclohexyl)sulfanylbenzoic acid
CID 62721517
potassium;hydride;(2R)-2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256865
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid (CID 117349355) is 2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccccc1SC1CCC1.
What is the InChIKey of 2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid?
The InChIKey is WSDCYNCQEFQKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3S/c13-11(12(14)15)9-6-1-2-7-10(9)16-8-4-3-5-8/h1-2,6-8,11,13H,3-5H2,(H,14,15).
What are the key properties of 2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid?
2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid has a molecular weight of 238.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117349355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).