(1S)-1-(4-methoxyphenyl)sulfonylethanol

C9H12O4S — CID 95474142

IUPAC(1S)-1-(4-methoxyphenyl)sulfonylethanol
SMILESCOc1ccc(S(=O)(=O)[C@@H](C)O)cc1
InChIInChI=1S/C9H12O4S/c1-7(10)14(11,12)9-5-3-8(13-2)4-6-9/h3-7,10H,1-2H3/t7-/m0/s1
InChIKeyTXWRLDRAYOFJMQ-ZETCQYMHSA-N
MW216.26 g/mol
LogP0.81
Rot. Bonds3

About (1S)-1-(4-methoxyphenyl)sulfonylethanol

(1S)-1-(4-methoxyphenyl)sulfonylethanol (PubChem CID 95474142) has the molecular formula C9H12O4S and a molecular weight of 216.26 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)sulfonylethanol.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)sulfonylethanol
PubChem CID95474142
Molecular FormulaC9H12O4S
Molecular Weight216.26 g/mol
Exact Mass216.05
IUPAC Name(1S)-1-(4-methoxyphenyl)sulfonylethanol
SMILESCOc1ccc(S(=O)(=O)[C@@H](C)O)cc1
InChIInChI=1S/C9H12O4S/c1-7(10)14(11,12)9-5-3-8(13-2)4-6-9/h3-7,10H,1-2H3/t7-/m0/s1
InChIKeyTXWRLDRAYOFJMQ-ZETCQYMHSA-N
XLogP0.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfonylethanamine
CID 117036167
2-hydroxy-4-(4-methoxyphenyl)sulfonylpentanoic acid
CID 70021771
3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
CID 64644955
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid
CID 117037884
hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
CID 6912594
(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
CID 94027440
4-methoxybenzenesulfonyl iodide
CID 23080708
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
1-methoxy-4-[2-[4-(4-propan-2-ylsulfonylphenoxy)phenyl]propan-2-yl]benzene
CID 135139809
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)sulfonylethanol?
The IUPAC name of (1S)-1-(4-methoxyphenyl)sulfonylethanol (CID 95474142) is (1S)-1-(4-methoxyphenyl)sulfonylethanol.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)sulfonylethanol?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)sulfonylethanol is COc1ccc(S(=O)(=O)[C@@H](C)O)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)sulfonylethanol?
The InChIKey is TXWRLDRAYOFJMQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12O4S/c1-7(10)14(11,12)9-5-3-8(13-2)4-6-9/h3-7,10H,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)sulfonylethanol?
(1S)-1-(4-methoxyphenyl)sulfonylethanol has a molecular weight of 216.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)sulfonylethanol is sourced from PubChem (CID 95474142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).