chloro-(4-methylsulfonylphenyl)methanol

C8H9ClO3S — CID 172793429

IUPACchloro-(4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(C(O)Cl)cc1
InChIInChI=1S/C8H9ClO3S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5,8,10H,1H3
InChIKeyPWOCOKSBIUQROM-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.32
Rot. Bonds2

About chloro-(4-methylsulfonylphenyl)methanol

chloro-(4-methylsulfonylphenyl)methanol (PubChem CID 172793429) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is chloro-(4-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Namechloro-(4-methylsulfonylphenyl)methanol
PubChem CID172793429
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Namechloro-(4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(C(O)Cl)cc1
InChIInChI=1S/C8H9ClO3S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5,8,10H,1H3
InChIKeyPWOCOKSBIUQROM-UHFFFAOYSA-N
XLogP1.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 134298683
2-ethyl-1-(4-methylsulfonylphenyl)butan-1-ol
CID 115821895
1-(4-methylsulfonylphenyl)ethanethiol
CID 43124121
(1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol
CID 59667462
(4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol
CID 102842447
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 69143338
cyclopentyl-(4-methylsulfonylphenyl)methanol
CID 115840633
(1R,2S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol
CID 12936087

Frequently Asked Questions

What is the IUPAC name of chloro-(4-methylsulfonylphenyl)methanol?
The IUPAC name of chloro-(4-methylsulfonylphenyl)methanol (CID 172793429) is chloro-(4-methylsulfonylphenyl)methanol.
What is the SMILES notation for chloro-(4-methylsulfonylphenyl)methanol?
The canonical SMILES for chloro-(4-methylsulfonylphenyl)methanol is CS(=O)(=O)c1ccc(C(O)Cl)cc1.
What is the InChIKey of chloro-(4-methylsulfonylphenyl)methanol?
The InChIKey is PWOCOKSBIUQROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5,8,10H,1H3.
What are the key properties of chloro-(4-methylsulfonylphenyl)methanol?
chloro-(4-methylsulfonylphenyl)methanol has a molecular weight of 220.68 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-methylsulfonylphenyl)methanol is sourced from PubChem (CID 172793429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).