[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol

C12H17FO4S — CID 106726358

IUPAC[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
SMILESCC(C)S(=O)(=O)CCOc1cc(F)cc(CO)c1
InChIInChI=1S/C12H17FO4S/c1-9(2)18(15,16)4-3-17-12-6-10(8-14)5-11(13)7-12/h5-7,9,14H,3-4,8H2,1-2H3
InChIKeyQSEPZIAFHMJPBE-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.52
Rot. Bonds6

About [3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol

[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol (PubChem CID 106726358) has the molecular formula C12H17FO4S and a molecular weight of 276.33 g/mol. Its IUPAC name is [3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
PubChem CID106726358
Molecular FormulaC12H17FO4S
Molecular Weight276.33 g/mol
Exact Mass276.08
IUPAC Name[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
SMILESCC(C)S(=O)(=O)CCOc1cc(F)cc(CO)c1
InChIInChI=1S/C12H17FO4S/c1-9(2)18(15,16)4-3-17-12-6-10(8-14)5-11(13)7-12/h5-7,9,14H,3-4,8H2,1-2H3
InChIKeyQSEPZIAFHMJPBE-UHFFFAOYSA-N
XLogP1.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726357
N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 106722555
N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 106722559
[3,5-dibromo-4-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
CID 107738877
1-(chloromethyl)-3-fluoro-5-(2-propylsulfonylethoxy)benzene
CID 106726635
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol
CID 144723100
1-(bromomethyl)-3-(2-tert-butylsulfonylethoxy)-5-fluorobenzene
CID 106726636
1-[4-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-one
CID 106725005
1-[3-(2-tert-butylsulfonylethoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106722549
(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003622

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol (CID 106726358) is [3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol is CC(C)S(=O)(=O)CCOc1cc(F)cc(CO)c1.
What is the InChIKey of [3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol?
The InChIKey is QSEPZIAFHMJPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO4S/c1-9(2)18(15,16)4-3-17-12-6-10(8-14)5-11(13)7-12/h5-7,9,14H,3-4,8H2,1-2H3.
What are the key properties of [3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol?
[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol has a molecular weight of 276.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol is sourced from PubChem (CID 106726358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).