2-propan-2-yloxy-1-benzothiophene

C11H12OS — CID 119090572

IUPAC2-propan-2-yloxy-1-benzothiophene
SMILESCC(C)Oc1cc2ccccc2s1
InChIInChI=1S/C11H12OS/c1-8(2)12-11-7-9-5-3-4-6-10(9)13-11/h3-8H,1-2H3
InChIKeyNWBAYBNAHPXZQI-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.69
Rot. Bonds2

About 2-propan-2-yloxy-1-benzothiophene

2-propan-2-yloxy-1-benzothiophene (PubChem CID 119090572) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-benzothiophene.

Molecular Properties

Compound Name2-propan-2-yloxy-1-benzothiophene
PubChem CID119090572
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name2-propan-2-yloxy-1-benzothiophene
SMILESCC(C)Oc1cc2ccccc2s1
InChIInChI=1S/C11H12OS/c1-8(2)12-11-7-9-5-3-4-6-10(9)13-11/h3-8H,1-2H3
InChIKeyNWBAYBNAHPXZQI-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
2-(2,3-dimethylbutan-2-yl)-1-benzothiophene
CID 23150201
2-(dimethoxymethyl)-1-benzothiophene
CID 119086272
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
CID 175606657
CID 175606657
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene
CID 15832960
1-benzothiophen-2-yl benzenesulfonate
CID 87961440
2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
CID 114911206
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
N-methyl-1-benzothiophen-2-amine
CID 18186472

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-benzothiophene?
The IUPAC name of 2-propan-2-yloxy-1-benzothiophene (CID 119090572) is 2-propan-2-yloxy-1-benzothiophene.
What is the SMILES notation for 2-propan-2-yloxy-1-benzothiophene?
The canonical SMILES for 2-propan-2-yloxy-1-benzothiophene is CC(C)Oc1cc2ccccc2s1.
What is the InChIKey of 2-propan-2-yloxy-1-benzothiophene?
The InChIKey is NWBAYBNAHPXZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-8(2)12-11-7-9-5-3-4-6-10(9)13-11/h3-8H,1-2H3.
What are the key properties of 2-propan-2-yloxy-1-benzothiophene?
2-propan-2-yloxy-1-benzothiophene has a molecular weight of 192.28 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-benzothiophene is sourced from PubChem (CID 119090572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).