2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride

C10H12ClFO4S — CID 84812519

IUPAC2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride
SMILESCOc1c(C)cc(CCS(=O)(=O)Cl)c(O)c1F
InChIInChI=1S/C10H12ClFO4S/c1-6-5-7(3-4-17(11,14)15)9(13)8(12)10(6)16-2/h5,13H,3-4H2,1-2H3
InChIKeyXUFCSYPKSWKARW-UHFFFAOYSA-N
MW282.72 g/mol
LogP1.96
Rot. Bonds4

About 2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride

2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride (PubChem CID 84812519) has the molecular formula C10H12ClFO4S and a molecular weight of 282.72 g/mol. Its IUPAC name is 2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride
PubChem CID84812519
Molecular FormulaC10H12ClFO4S
Molecular Weight282.72 g/mol
Exact Mass282.01
IUPAC Name2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride
SMILESCOc1c(C)cc(CCS(=O)(=O)Cl)c(O)c1F
InChIInChI=1S/C10H12ClFO4S/c1-6-5-7(3-4-17(11,14)15)9(13)8(12)10(6)16-2/h5,13H,3-4H2,1-2H3
InChIKeyXUFCSYPKSWKARW-UHFFFAOYSA-N
XLogP1.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84813869
2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride
CID 84811476
2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84711712
3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117304214
3-(2-fluoro-3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117328457
4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol
CID 117314991
(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 117425080
3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84775698
2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride
CID 84710908
2-fluoro-3-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 84799673
2-(2-fluoro-6-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84808465
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanesulfonyl chloride
CID 84714862

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride (CID 84812519) is 2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride is COc1c(C)cc(CCS(=O)(=O)Cl)c(O)c1F.
What is the InChIKey of 2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride?
The InChIKey is XUFCSYPKSWKARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO4S/c1-6-5-7(3-4-17(11,14)15)9(13)8(12)10(6)16-2/h5,13H,3-4H2,1-2H3.
What are the key properties of 2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride?
2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride has a molecular weight of 282.72 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 84812519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).