(2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol

C14H22O4S — CID 59667958

IUPAC(2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol
SMILESCC(C)(C)C[C@@H](O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22O4S/c1-14(2,3)9-11(15)10-18-12-5-7-13(8-6-12)19(4,16)17/h5-8,11,15H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyZLHCBTZKCVIFRD-LLVKDONJSA-N
MW286.39 g/mol
LogP2.27
Rot. Bonds5

About (2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol

(2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol (PubChem CID 59667958) has the molecular formula C14H22O4S and a molecular weight of 286.39 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol
PubChem CID59667958
Molecular FormulaC14H22O4S
Molecular Weight286.39 g/mol
Exact Mass286.12
IUPAC Name(2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol
SMILESCC(C)(C)C[C@@H](O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22O4S/c1-14(2,3)9-11(15)10-18-12-5-7-13(8-6-12)19(4,16)17/h5-8,11,15H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyZLHCBTZKCVIFRD-LLVKDONJSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2,4-dimethylpentan-2-ylamino)-3-(4-methylsulfonylphenoxy)propan-2-ol
CID 164906444
[(2R)-2-hydroxy-3-(4-methylsulfonylphenoxy)propyl]azaniumylideneazanide
CID 140847451
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
1-[2-(4-chlorophenoxy)ethylamino]-3-(4-methylsulfonylphenoxy)propan-2-ol
CID 22766037
4,4-dimethyl-1-[4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 135138979
1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol
CID 109415459
[(2R)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-trimethylazanium
CID 27532172
[(2S)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-(4-methylphenyl)sulfonyloxypropoxy]phenoxy]propyl] 4-methylbenzenesulfonate
CID 98614974
1-[2-(2-methylpropyl)piperidin-1-yl]-3-(4-methylsulfonylphenoxy)propan-2-ol
CID 164906220
2,2-dimethyl-5-(4-methylsulfonylphenoxy)pentanoic acid
CID 65259917
2-amino-4-(4-methylsulfonylphenoxy)butanamide
CID 63035136
1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonylbenzene
CID 70933188

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol?
The IUPAC name of (2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol (CID 59667958) is (2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol.
What is the SMILES notation for (2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol?
The canonical SMILES for (2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol is CC(C)(C)C[C@@H](O)COc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol?
The InChIKey is ZLHCBTZKCVIFRD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22O4S/c1-14(2,3)9-11(15)10-18-12-5-7-13(8-6-12)19(4,16)17/h5-8,11,15H,9-10H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol?
(2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol has a molecular weight of 286.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol is sourced from PubChem (CID 59667958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).