3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride

C11H15FO3S — CID 115045835

IUPAC3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
SMILESCC(C)(Cc1cccc(O)c1)CS(=O)(=O)F
InChIInChI=1S/C11H15FO3S/c1-11(2,8-16(12,14)15)7-9-4-3-5-10(13)6-9/h3-6,13H,7-8H2,1-2H3
InChIKeyCFEGBZYLIDXJBC-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.26
Rot. Bonds4

About 3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride

3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride (PubChem CID 115045835) has the molecular formula C11H15FO3S and a molecular weight of 246.30 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
PubChem CID115045835
Molecular FormulaC11H15FO3S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
SMILESCC(C)(Cc1cccc(O)c1)CS(=O)(=O)F
InChIInChI=1S/C11H15FO3S/c1-11(2,8-16(12,14)15)7-9-4-3-5-10(13)6-9/h3-6,13H,7-8H2,1-2H3
InChIKeyCFEGBZYLIDXJBC-UHFFFAOYSA-N
XLogP2.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride
CID 115045366
3-(3-methoxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
CID 115048618
1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 170337441
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
CID 67520417
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol
CID 84723725
2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid
CID 102639732
3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one
CID 116592903
3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol
CID 57265568
3-(3-hydroxyphenyl)-2-methylpropane-1-sulfonic acid
CID 115037807
3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol
CID 115036820

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride?
The IUPAC name of 3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride (CID 115045835) is 3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride?
The canonical SMILES for 3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride is CC(C)(Cc1cccc(O)c1)CS(=O)(=O)F.
What is the InChIKey of 3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride?
The InChIKey is CFEGBZYLIDXJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3S/c1-11(2,8-16(12,14)15)7-9-4-3-5-10(13)6-9/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride?
3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride has a molecular weight of 246.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride is sourced from PubChem (CID 115045835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).