(4-hydroxy-3-methylphenyl)methanesulfonyl chloride

C8H9ClO3S — CID 117315045

IUPAC(4-hydroxy-3-methylphenyl)methanesulfonyl chloride
SMILESCc1cc(CS(=O)(=O)Cl)ccc1O
InChIInChI=1S/C8H9ClO3S/c1-6-4-7(2-3-8(6)10)5-13(9,11)12/h2-4,10H,5H2,1H3
InChIKeyOFRGBQVIFQXKKG-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.77
Rot. Bonds2

About (4-hydroxy-3-methylphenyl)methanesulfonyl chloride

(4-hydroxy-3-methylphenyl)methanesulfonyl chloride (PubChem CID 117315045) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is (4-hydroxy-3-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-hydroxy-3-methylphenyl)methanesulfonyl chloride
PubChem CID117315045
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name(4-hydroxy-3-methylphenyl)methanesulfonyl chloride
SMILESCc1cc(CS(=O)(=O)Cl)ccc1O
InChIInChI=1S/C8H9ClO3S/c1-6-4-7(2-3-8(6)10)5-13(9,11)12/h2-4,10H,5H2,1H3
InChIKeyOFRGBQVIFQXKKG-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (4-hydroxy-3-methylphenyl)methanesulfonyl chloride (CID 117315045) is (4-hydroxy-3-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-hydroxy-3-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-hydroxy-3-methylphenyl)methanesulfonyl chloride is Cc1cc(CS(=O)(=O)Cl)ccc1O.
What is the InChIKey of (4-hydroxy-3-methylphenyl)methanesulfonyl chloride?
The InChIKey is OFRGBQVIFQXKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c1-6-4-7(2-3-8(6)10)5-13(9,11)12/h2-4,10H,5H2,1H3.
What are the key properties of (4-hydroxy-3-methylphenyl)methanesulfonyl chloride?
(4-hydroxy-3-methylphenyl)methanesulfonyl chloride has a molecular weight of 220.68 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117315045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).