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

C9H10ClFO4S — CID 117425080

IUPAC(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
SMILESCOc1c(F)cc(CS(=O)(=O)Cl)c(C)c1O
InChIInChI=1S/C9H10ClFO4S/c1-5-6(4-16(10,13)14)3-7(11)9(15-2)8(5)12/h3,12H,4H2,1-2H3
InChIKeyGUEQQSAKVFMMKR-UHFFFAOYSA-N
MW268.69 g/mol
LogP1.92
Rot. Bonds3

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

(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride (PubChem CID 117425080) has the molecular formula C9H10ClFO4S and a molecular weight of 268.69 g/mol. Its IUPAC name is (5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
PubChem CID117425080
Molecular FormulaC9H10ClFO4S
Molecular Weight268.69 g/mol
Exact Mass268.00
IUPAC Name(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
SMILESCOc1c(F)cc(CS(=O)(=O)Cl)c(C)c1O
InChIInChI=1S/C9H10ClFO4S/c1-5-6(4-16(10,13)14)3-7(11)9(15-2)8(5)12/h3,12H,4H2,1-2H3
InChIKeyGUEQQSAKVFMMKR-UHFFFAOYSA-N
XLogP1.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)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

(3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride
CID 117434256
5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117289874
2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile
CID 117284972
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84813869
2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84812519
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride
CID 84811476
(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
CID 117416230
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone
CID 84668084
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
CID 117349733
(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 84813942

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride (CID 117425080) is (5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride is COc1c(F)cc(CS(=O)(=O)Cl)c(C)c1O.
What is the InChIKey of (5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride?
The InChIKey is GUEQQSAKVFMMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO4S/c1-5-6(4-16(10,13)14)3-7(11)9(15-2)8(5)12/h3,12H,4H2,1-2H3.
What are the key properties of (5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride?
(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride has a molecular weight of 268.69 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117425080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).