4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol

C14H13FO4S — CID 127244158

IUPAC4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol
SMILESCOc1cc(CS(=O)(=O)c2ccc(F)cc2)ccc1O
InChIInChI=1S/C14H13FO4S/c1-19-14-8-10(2-7-13(14)16)9-20(17,18)12-5-3-11(15)4-6-12/h2-8,16H,9H2,1H3
InChIKeyCJTGUQVVZZSJDN-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.51
Rot. Bonds4

About 4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol

4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol (PubChem CID 127244158) has the molecular formula C14H13FO4S and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol
PubChem CID127244158
Molecular FormulaC14H13FO4S
Molecular Weight296.32 g/mol
Exact Mass296.05
IUPAC Name4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol
SMILESCOc1cc(CS(=O)(=O)c2ccc(F)cc2)ccc1O
InChIInChI=1S/C14H13FO4S/c1-19-14-8-10(2-7-13(14)16)9-20(17,18)12-5-3-11(15)4-6-12/h2-8,16H,9H2,1H3
InChIKeyCJTGUQVVZZSJDN-UHFFFAOYSA-N
XLogP2.51
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline
CID 43444217
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
4-(benzenesulfonylmethyl)-1-bromo-2-methoxybenzene
CID 141296183
4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
CID 46055350
[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine
CID 107881466
diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzene-1,2-dicarboxylate
CID 160720980
2-chloro-5-[(4-fluorophenyl)sulfonylmethyl]aniline
CID 43444225
1-[3-[(4-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone
CID 106584649
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol
CID 143476460

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol (CID 127244158) is 4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol is COc1cc(CS(=O)(=O)c2ccc(F)cc2)ccc1O.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol?
The InChIKey is CJTGUQVVZZSJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO4S/c1-19-14-8-10(2-7-13(14)16)9-20(17,18)12-5-3-11(15)4-6-12/h2-8,16H,9H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol?
4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol has a molecular weight of 296.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyphenol is sourced from PubChem (CID 127244158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).