3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol

C10H13FO2S — CID 164811547

IUPAC3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol
SMILESCC(C)c1c(O)ccc(S(C)=O)c1F
InChIInChI=1S/C10H13FO2S/c1-6(2)9-7(12)4-5-8(10(9)11)14(3)13/h4-6,12H,1-3H3
InChIKeyHKFFEOWHIPXCBL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.39
Rot. Bonds2

About 3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol

3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol (PubChem CID 164811547) has the molecular formula C10H13FO2S and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol
PubChem CID164811547
Molecular FormulaC10H13FO2S
Molecular Weight216.28 g/mol
Exact Mass216.06
IUPAC Name3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol
SMILESCC(C)c1c(O)ccc(S(C)=O)c1F
InChIInChI=1S/C10H13FO2S/c1-6(2)9-7(12)4-5-8(10(9)11)14(3)13/h4-6,12H,1-3H3
InChIKeyHKFFEOWHIPXCBL-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-2-propan-2-ylphenol
CID 130384199
3-fluoro-2,4-di(propan-2-yl)phenol
CID 174716434
2,4-difluoro-3-propan-2-ylphenol
CID 147438122
2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene
CID 155747994
4-(2-methylpropyl)-2-methylsulfinylphenol
CID 56631448
1-(3,6-dihydroxy-2-propan-2-ylphenyl)ethanone
CID 101273343
2-(1-aminoethyl)-3,4-difluorophenol
CID 84654585
4,5-difluoro-3-propan-2-ylbenzene-1,2-diol
CID 87961002
4-chloro-3-nitro-2-propan-2-ylphenol
CID 146026776
2-(1-aminoethyl)-4-bromo-3-fluorophenol
CID 84697321
2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol
CID 107711014
3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid
CID 83886950

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol?
The IUPAC name of 3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol (CID 164811547) is 3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol.
What is the SMILES notation for 3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol?
The canonical SMILES for 3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol is CC(C)c1c(O)ccc(S(C)=O)c1F.
What is the InChIKey of 3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol?
The InChIKey is HKFFEOWHIPXCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2S/c1-6(2)9-7(12)4-5-8(10(9)11)14(3)13/h4-6,12H,1-3H3.
What are the key properties of 3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol?
3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol has a molecular weight of 216.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol is sourced from PubChem (CID 164811547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).