(2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol

C13H20O3S — CID 102426580

IUPAC(2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol
SMILESCC(C)(C)S(=O)(=O)[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H20O3S/c1-13(2,3)17(15,16)12(10-14)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyQUEYYYUOYGBKCX-GFCCVEGCSA-N
MW256.37 g/mol
LogP1.80
Rot. Bonds4

About (2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol

(2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol (PubChem CID 102426580) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is (2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol
PubChem CID102426580
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name(2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol
SMILESCC(C)(C)S(=O)(=O)[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H20O3S/c1-13(2,3)17(15,16)12(10-14)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyQUEYYYUOYGBKCX-GFCCVEGCSA-N
XLogP1.80
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfonylhexylbenzene
CID 10924028
[2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene
CID 175219227
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570
1,3-diphenylpropane-2-sulfonamide
CID 62084735
(2-benzyl-3-hydroxypropyl) methanesulfonate
CID 22447796
tert-butyl-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 68898508
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
lithium [(2R)-1-hydroxy-3-phenylpropan-2-yl]-(2-methyl-2-phenylsulfanylpropanoyl)azanide
CID 143161525
tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid
CID 66990689
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520

Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol (CID 102426580) is (2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol is CC(C)(C)S(=O)(=O)[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol?
The InChIKey is QUEYYYUOYGBKCX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20O3S/c1-13(2,3)17(15,16)12(10-14)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol?
(2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol has a molecular weight of 256.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol is sourced from PubChem (CID 102426580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).