1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol

C15H24O3S — CID 104521221

IUPAC1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol
SMILESCCC(C)(C)c1ccc(C(O)C(C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24O3S/c1-6-15(3,4)13-9-7-12(8-10-13)14(16)11(2)19(5,17)18/h7-11,14,16H,6H2,1-5H3
InChIKeyHSXOIFUCBMOHAK-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.84
Rot. Bonds5

About 1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol

1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol (PubChem CID 104521221) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol
PubChem CID104521221
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol
SMILESCCC(C)(C)c1ccc(C(O)C(C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24O3S/c1-6-15(3,4)13-9-7-12(8-10-13)14(16)11(2)19(5,17)18/h7-11,14,16H,6H2,1-5H3
InChIKeyHSXOIFUCBMOHAK-UHFFFAOYSA-N
XLogP2.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol
CID 102550108
1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol
CID 104521255
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
CID 23463777
(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol
CID 78944666
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693
1-(3,4-dimethylphenyl)-2-methylsulfonylpropan-1-ol
CID 104521030
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
2-(methylamino)-1-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]ethanol
CID 117108182
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol
CID 171381608

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol (CID 104521221) is 1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol is CCC(C)(C)c1ccc(C(O)C(C)S(C)(=O)=O)cc1.
What is the InChIKey of 1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol?
The InChIKey is HSXOIFUCBMOHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c1-6-15(3,4)13-9-7-12(8-10-13)14(16)11(2)19(5,17)18/h7-11,14,16H,6H2,1-5H3.
What are the key properties of 1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol?
1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol has a molecular weight of 284.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 104521221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).