(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride

C8H8ClFO3S — CID 117349733

IUPAC(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
SMILESCc1ccc(F)c(O)c1CS(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO3S/c1-5-2-3-7(10)8(11)6(5)4-14(9,12)13/h2-3,11H,4H2,1H3
InChIKeyIDGMBNVWFSZLAU-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.91
Rot. Bonds2

About (3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride

(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride (PubChem CID 117349733) has the molecular formula C8H8ClFO3S and a molecular weight of 238.67 g/mol. Its IUPAC name is (3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
PubChem CID117349733
Molecular FormulaC8H8ClFO3S
Molecular Weight238.67 g/mol
Exact Mass237.99
IUPAC Name(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
SMILESCc1ccc(F)c(O)c1CS(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO3S/c1-5-2-3-7(10)8(11)6(5)4-14(9,12)13/h2-3,11H,4H2,1H3
InChIKeyIDGMBNVWFSZLAU-UHFFFAOYSA-N
XLogP1.91
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride
CID 84804403
1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
CID 84658379
(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 84709005
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
(3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride
CID 117434256
6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride
CID 122199049
(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659094
(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride
CID 84801727
(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
CID 117416230
(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride
CID 117482561

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride (CID 117349733) is (3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride is Cc1ccc(F)c(O)c1CS(=O)(=O)Cl.
What is the InChIKey of (3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride?
The InChIKey is IDGMBNVWFSZLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO3S/c1-5-2-3-7(10)8(11)6(5)4-14(9,12)13/h2-3,11H,4H2,1H3.
What are the key properties of (3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride?
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride has a molecular weight of 238.67 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117349733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).