(2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol

C11H16O4S — CID 175231435

IUPAC(2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol
SMILESCCS(=O)(=O)c1cccc(OC[C@H](C)O)c1
InChIInChI=1S/C11H16O4S/c1-3-16(13,14)11-6-4-5-10(7-11)15-8-9(2)12/h4-7,9,12H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyDUPARIOPNDGCRS-VIFPVBQESA-N
MW244.31 g/mol
LogP1.24
Rot. Bonds5

About (2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol

(2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol (PubChem CID 175231435) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is (2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol
PubChem CID175231435
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name(2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol
SMILESCCS(=O)(=O)c1cccc(OC[C@H](C)O)c1
InChIInChI=1S/C11H16O4S/c1-3-16(13,14)11-6-4-5-10(7-11)15-8-9(2)12/h4-7,9,12H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyDUPARIOPNDGCRS-VIFPVBQESA-N
XLogP1.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide
CID 175061321
1-[3-(diethylamino)phenoxy]propan-2-ol
CID 22760892
N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine
CID 167136329
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
CID 71018405
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
ethane;1-phenoxypropan-2-ol
CID 90926921
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409
2-methyl-3-(3-methylsulfonylphenoxy)propanethioamide
CID 43807014
N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide
CID 141009945

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol (CID 175231435) is (2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol is CCS(=O)(=O)c1cccc(OC[C@H](C)O)c1.
What is the InChIKey of (2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol?
The InChIKey is DUPARIOPNDGCRS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16O4S/c1-3-16(13,14)11-6-4-5-10(7-11)15-8-9(2)12/h4-7,9,12H,3,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol?
(2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol has a molecular weight of 244.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol is sourced from PubChem (CID 175231435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).