1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene

C11H16O2S — CID 15864724

IUPAC1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene
SMILESCS(=O)c1ccccc1OC(C)(C)C
InChIInChI=1S/C11H16O2S/c1-11(2,3)13-9-7-5-6-8-10(9)14(4)12/h5-8H,1-4H3
InChIKeyPJHCAVTYHYOQJP-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.60
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene

1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene (PubChem CID 15864724) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene
PubChem CID15864724
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene
SMILESCS(=O)c1ccccc1OC(C)(C)C
InChIInChI=1S/C11H16O2S/c1-11(2,3)13-9-7-5-6-8-10(9)14(4)12/h5-8H,1-4H3
InChIKeyPJHCAVTYHYOQJP-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 91197714
carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 137455638
2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
1-iodo-2-methylsulfinylbenzene
CID 53256675
ethane;1-methyl-2-methylsulfinylbenzene
CID 143887984
calcium bis(2-[(2-methylpropan-2-yl)oxy]benzoate)
CID 141091959
1-tert-butylsulfinyl-2-[(2-tert-butylsulfinylphenoxy)methoxy]benzene
CID 74963436
4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene
CID 142140660
[2-[(2-methylpropan-2-yl)oxy]phenyl] propanoate
CID 175303844
1,4-dimethoxy-2-methylsulfinylnaphthalene
CID 139590661
1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 162775400

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene (CID 15864724) is 1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene is CS(=O)c1ccccc1OC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene?
The InChIKey is PJHCAVTYHYOQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-11(2,3)13-9-7-5-6-8-10(9)14(4)12/h5-8H,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene?
1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene has a molecular weight of 212.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene is sourced from PubChem (CID 15864724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).