[4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol

C13H19FO4S — CID 107690715

IUPAC[4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol
SMILESCC(C)(C)S(=O)(=O)CCOc1ccc(CO)cc1F
InChIInChI=1S/C13H19FO4S/c1-13(2,3)19(16,17)7-6-18-12-5-4-10(9-15)8-11(12)14/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyGGYHJSYAPLJHGQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.91
Rot. Bonds5

About [4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol

[4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol (PubChem CID 107690715) has the molecular formula C13H19FO4S and a molecular weight of 290.36 g/mol. Its IUPAC name is [4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol
PubChem CID107690715
Molecular FormulaC13H19FO4S
Molecular Weight290.36 g/mol
Exact Mass290.10
IUPAC Name[4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol
SMILESCC(C)(C)S(=O)(=O)CCOc1ccc(CO)cc1F
InChIInChI=1S/C13H19FO4S/c1-13(2,3)19(16,17)7-6-18-12-5-4-10(9-15)8-11(12)14/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyGGYHJSYAPLJHGQ-UHFFFAOYSA-N
XLogP1.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-ethylsulfonylpropoxy)-3-fluorophenyl]methanol
CID 107690484
[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]methanol
CID 107690943
1-(2-tert-butylsulfonylethoxy)-2-chloro-4-(chloromethyl)benzene
CID 106726569
[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320226
4-(bromomethyl)-1-(2-ethylsulfonylethoxy)-2-fluorobenzene
CID 107691526
4-(bromomethyl)-2-fluoro-1-(2-methylsulfonylethoxy)benzene
CID 107691591
[4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine
CID 106721561
N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 107690752
4-(7-tert-butylsulfonylheptyl)-2-fluoro-1-methoxybenzene
CID 59546163
[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol
CID 107690963
4-(2-tert-butylsulfonylethoxy)-3-methylbenzoic acid
CID 107673941
[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol
CID 114191393

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol?
The IUPAC name of [4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol (CID 107690715) is [4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol is CC(C)(C)S(=O)(=O)CCOc1ccc(CO)cc1F.
What is the InChIKey of [4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol?
The InChIKey is GGYHJSYAPLJHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO4S/c1-13(2,3)19(16,17)7-6-18-12-5-4-10(9-15)8-11(12)14/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of [4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol?
[4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol has a molecular weight of 290.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]methanol is sourced from PubChem (CID 107690715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).