[3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol

C12H17FO4S — CID 106726357

IUPAC[3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol
SMILESCCCS(=O)(=O)CCOc1cc(F)cc(CO)c1
InChIInChI=1S/C12H17FO4S/c1-2-4-18(15,16)5-3-17-12-7-10(9-14)6-11(13)8-12/h6-8,14H,2-5,9H2,1H3
InChIKeyFHVZVLUVPQTLDT-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.52
Rot. Bonds7

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

[3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol (PubChem CID 106726357) has the molecular formula C12H17FO4S and a molecular weight of 276.33 g/mol. Its IUPAC name is [3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol
PubChem CID106726357
Molecular FormulaC12H17FO4S
Molecular Weight276.33 g/mol
Exact Mass276.08
IUPAC Name[3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol
SMILESCCCS(=O)(=O)CCOc1cc(F)cc(CO)c1
InChIInChI=1S/C12H17FO4S/c1-2-4-18(15,16)5-3-17-12-7-10(9-14)6-11(13)8-12/h6-8,14H,2-5,9H2,1H3
InChIKeyFHVZVLUVPQTLDT-UHFFFAOYSA-N
XLogP1.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

1-(chloromethyl)-3-fluoro-5-(2-propylsulfonylethoxy)benzene
CID 106726635
[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
CID 106726358
2-fluoro-4-(2-propylsulfonylethoxy)benzoic acid
CID 107675513
4-[3-(2-ethylsulfonylethoxy)-5-fluorophenyl]but-3-yn-1-ol
CID 81325821
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726141
ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol
CID 144723100
N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 106722559
1-(bromomethyl)-3-(2-tert-butylsulfonylethoxy)-5-fluorobenzene
CID 106726636
(3,5-dipentoxyphenyl)methanol
CID 121005447
1-(chloromethyl)-4-(2-propylsulfonylethoxy)benzene
CID 106726467
1-(bromomethyl)-4-(2-propylsulfonylethoxy)benzene
CID 106726492

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol (CID 106726357) is [3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol is CCCS(=O)(=O)CCOc1cc(F)cc(CO)c1.
What is the InChIKey of [3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol?
The InChIKey is FHVZVLUVPQTLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO4S/c1-2-4-18(15,16)5-3-17-12-7-10(9-14)6-11(13)8-12/h6-8,14H,2-5,9H2,1H3.
What are the key properties of [3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol?
[3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol has a molecular weight of 276.33 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(2-propylsulfonylethoxy)phenyl]methanol is sourced from PubChem (CID 106726357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).