(2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride

C9H11ClO3S — CID 117341424

IUPAC(2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride
SMILESCc1cc(C)c(O)c(CS(=O)(=O)Cl)c1
InChIInChI=1S/C9H11ClO3S/c1-6-3-7(2)9(11)8(4-6)5-14(10,12)13/h3-4,11H,5H2,1-2H3
InChIKeyUSOKDRLGIHQDBS-UHFFFAOYSA-N
MW234.70 g/mol
LogP2.08
Rot. Bonds2

About (2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride

(2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride (PubChem CID 117341424) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is (2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride
PubChem CID117341424
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name(2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride
SMILESCc1cc(C)c(O)c(CS(=O)(=O)Cl)c1
InChIInChI=1S/C9H11ClO3S/c1-6-3-7(2)9(11)8(4-6)5-14(10,12)13/h3-4,11H,5H2,1-2H3
InChIKeyUSOKDRLGIHQDBS-UHFFFAOYSA-N
XLogP2.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117416233
(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride
CID 117485801
(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride
CID 117482561
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
2-[[3-ethyl-2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]-4,6-dimethylphenol
CID 59972171
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
CID 117349733
2-[(E)-but-2-enyl]-4,6-dimethylphenol
CID 131234251
(5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride
CID 84707894
2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
CID 118528705

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride?
The IUPAC name of (2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride (CID 117341424) is (2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride is Cc1cc(C)c(O)c(CS(=O)(=O)Cl)c1.
What is the InChIKey of (2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride?
The InChIKey is USOKDRLGIHQDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-6-3-7(2)9(11)8(4-6)5-14(10,12)13/h3-4,11H,5H2,1-2H3.
What are the key properties of (2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride?
(2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117341424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).