2-(4-tert-butylphenyl)sulfonylpentan-3-ol

C15H24O3S — CID 106585369

IUPAC2-(4-tert-butylphenyl)sulfonylpentan-3-ol
SMILESCCC(O)C(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24O3S/c1-6-14(16)11(2)19(17,18)13-9-7-12(8-10-13)15(3,4)5/h7-11,14,16H,6H2,1-5H3
InChIKeyFXDJAQIDWZDZBW-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.92
Rot. Bonds4

About 2-(4-tert-butylphenyl)sulfonylpentan-3-ol

2-(4-tert-butylphenyl)sulfonylpentan-3-ol (PubChem CID 106585369) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfonylpentan-3-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfonylpentan-3-ol
PubChem CID106585369
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name2-(4-tert-butylphenyl)sulfonylpentan-3-ol
SMILESCCC(O)C(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24O3S/c1-6-14(16)11(2)19(17,18)13-9-7-12(8-10-13)15(3,4)5/h7-11,14,16H,6H2,1-5H3
InChIKeyFXDJAQIDWZDZBW-UHFFFAOYSA-N
XLogP2.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)pentan-3-ol
CID 62918399
2-(4-tert-butylphenyl)sulfonyl-N-ethylpentan-3-amine
CID 64645434
3-(4-tert-butylphenyl)sulfonylpentan-1-amine
CID 64696981
1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea
CID 163566392
6-(4-tert-butylphenyl)sulfonylhexan-2-ol
CID 106585373
(2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide
CID 167764822
N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990855
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
3-(4-tert-butylphenyl)sulfonyloxybutan-2-yl 4-tert-butylbenzenesulfonate
CID 89439343
4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 39086808
1,4-ditert-butylbenzene;2,2-dimethylpropane;methylsulfonylmethane;propane
CID 157161752
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfonylpentan-3-ol?
The IUPAC name of 2-(4-tert-butylphenyl)sulfonylpentan-3-ol (CID 106585369) is 2-(4-tert-butylphenyl)sulfonylpentan-3-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfonylpentan-3-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfonylpentan-3-ol is CCC(O)C(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfonylpentan-3-ol?
The InChIKey is FXDJAQIDWZDZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c1-6-14(16)11(2)19(17,18)13-9-7-12(8-10-13)15(3,4)5/h7-11,14,16H,6H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfonylpentan-3-ol?
2-(4-tert-butylphenyl)sulfonylpentan-3-ol has a molecular weight of 284.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfonylpentan-3-ol is sourced from PubChem (CID 106585369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).