2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol

C14H12ClFO3S — CID 66734089

IUPAC2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol
SMILESCS(=O)(=O)c1cccc(Cc2cc(F)ccc2O)c1Cl
InChIInChI=1S/C14H12ClFO3S/c1-20(18,19)13-4-2-3-9(14(13)15)7-10-8-11(16)5-6-12(10)17/h2-6,8,17H,7H2,1H3
InChIKeyXKTCUSYRQIRGNA-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.18
Rot. Bonds3

About 2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol

2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol (PubChem CID 66734089) has the molecular formula C14H12ClFO3S and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol
PubChem CID66734089
Molecular FormulaC14H12ClFO3S
Molecular Weight314.77 g/mol
Exact Mass314.02
IUPAC Name2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol
SMILESCS(=O)(=O)c1cccc(Cc2cc(F)ccc2O)c1Cl
InChIInChI=1S/C14H12ClFO3S/c1-20(18,19)13-4-2-3-9(14(13)15)7-10-8-11(16)5-6-12(10)17/h2-6,8,17H,7H2,1H3
InChIKeyXKTCUSYRQIRGNA-UHFFFAOYSA-N
XLogP3.18
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol 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

4-(4-Fluorophenyl)sulfonyl-2-propylphenol
CID 17894593
3-(3-Chloro-4-fluorophenyl)-5-methylsulfonylphenol
CID 57863031
2',6'-Dichloro-5-fluoro-3-methylsulfanyl-biphenyl-2-ol
CID 59378215
2-(2-Chlorophenyl)-4-fluoro-6-methylsulfanylphenol
CID 59378217
2-Chloro-1-(5-fluoro-2-methoxybenzyl)-3-(methylsulfonyl)benzene
CID 67108404
3-[2-Chloro-4-(methylsulfonyl)benzyl]-5-(trifluoromethyl)phenol
CID 67108413
3'-Chloro-5-fluoro-4'-(phenylsulfonyl)biphenyl-2-ol
CID 67240365
4-Chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenol
CID 67240913
4'-[(2-Chlorophenyl)sulfonyl]-3',5-difluorobiphenyl-2-ol
CID 67241252
2-[4-(Benzenesulfonyl)-2-chlorophenyl]-4-fluorophenol
CID 67241305
2-(2-Chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenol
CID 67280152
4-Chloro-2-(4-ethylsulfonyl-2-fluorophenyl)phenol
CID 67280254

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol?
The IUPAC name of 2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol (CID 66734089) is 2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol?
The canonical SMILES for 2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol is CS(=O)(=O)c1cccc(Cc2cc(F)ccc2O)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol?
The InChIKey is XKTCUSYRQIRGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO3S/c1-20(18,19)13-4-2-3-9(14(13)15)7-10-8-11(16)5-6-12(10)17/h2-6,8,17H,7H2,1H3.
What are the key properties of 2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol?
2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol has a molecular weight of 314.77 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-methylsulfonylphenyl)methyl]-4-fluorophenol is sourced from PubChem (CID 66734089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).