(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol

C14H22O4S — CID 106726253

IUPAC(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCCS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C14H22O4S/c1-11(15)12-6-5-7-13(10-12)18-8-9-19(16,17)14(2,3)4/h5-7,10-11,15H,8-9H2,1-4H3/t11-/m1/s1
InChIKeySFDPBKKTMQXPPK-LLVKDONJSA-N
MW286.39 g/mol
LogP2.33
Rot. Bonds5

About (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol

(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol (PubChem CID 106726253) has the molecular formula C14H22O4S and a molecular weight of 286.39 g/mol. Its IUPAC name is (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol
PubChem CID106726253
Molecular FormulaC14H22O4S
Molecular Weight286.39 g/mol
Exact Mass286.12
IUPAC Name(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCCS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C14H22O4S/c1-11(15)12-6-5-7-13(10-12)18-8-9-19(16,17)14(2,3)4/h5-7,10-11,15H,8-9H2,1-4H3/t11-/m1/s1
InChIKeySFDPBKKTMQXPPK-LLVKDONJSA-N
XLogP2.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine
CID 106722297
(1S)-1-[3-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 78933948
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
(1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol
CID 106726236
(1S)-1-[4-(2-tert-butylsulfonylethoxy)-3-chlorophenyl]ethanol
CID 106726351
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038
1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 104930630
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63365492

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol (CID 106726253) is (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol is C[C@@H](O)c1cccc(OCCS(=O)(=O)C(C)(C)C)c1.
What is the InChIKey of (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol?
The InChIKey is SFDPBKKTMQXPPK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22O4S/c1-11(15)12-6-5-7-13(10-12)18-8-9-19(16,17)14(2,3)4/h5-7,10-11,15H,8-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol?
(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol has a molecular weight of 286.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol is sourced from PubChem (CID 106726253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).