1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene

C17H20O3S — CID 153290833

IUPAC1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene
SMILESCC(C)(C)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20O3S/c1-17(2,3)13-5-7-14(8-6-13)20-15-9-11-16(12-10-15)21(4,18)19/h5-12H,1-4H3
InChIKeyDXNZFXOQEIFERX-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.18
Rot. Bonds3

About 1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene

1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene (PubChem CID 153290833) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene
PubChem CID153290833
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene
SMILESCC(C)(C)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20O3S/c1-17(2,3)13-5-7-14(8-6-13)20-15-9-11-16(12-10-15)21(4,18)19/h5-12H,1-4H3
InChIKeyDXNZFXOQEIFERX-UHFFFAOYSA-N
XLogP4.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-methylsulfonylbenzene;ethane
CID 144874881
[4-(4-tert-butylphenoxy)phenyl]-imino-methyl-oxo-λ6-sulfane
CID 176760379
1-(1,1-difluoroethyl)-4-methylsulfonylbenzene
CID 116841572
1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonylbenzene
CID 70933188
[4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium
CID 143174606
1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-methyl-4-(4-methylsulfonylphenyl)sulfonylbenzene
CID 157337856
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
3-hydroxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 23093006
4-tert-butyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 5185775
1-tert-butyl-4-[1-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]ethyl]benzene
CID 155477330
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene?
The IUPAC name of 1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene (CID 153290833) is 1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene.
What is the SMILES notation for 1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene?
The canonical SMILES for 1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene is CC(C)(C)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene?
The InChIKey is DXNZFXOQEIFERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c1-17(2,3)13-5-7-14(8-6-13)20-15-9-11-16(12-10-15)21(4,18)19/h5-12H,1-4H3.
What are the key properties of 1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene?
1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene has a molecular weight of 304.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene is sourced from PubChem (CID 153290833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).