1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol

C8H11ClOS — CID 818999

IUPAC1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(Cl)s1
InChIInChI=1S/C8H11ClOS/c1-8(2,10)5-6-3-4-7(9)11-6/h3-4,10H,5H2,1-2H3
InChIKeyUHDFIMZUODPLSL-UHFFFAOYSA-N
MW190.69 g/mol
LogP2.71
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol

1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol (PubChem CID 818999) has the molecular formula C8H11ClOS and a molecular weight of 190.69 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol
PubChem CID818999
Molecular FormulaC8H11ClOS
Molecular Weight190.69 g/mol
Exact Mass190.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(Cl)s1
InChIInChI=1S/C8H11ClOS/c1-8(2,10)5-6-3-4-7(9)11-6/h3-4,10H,5H2,1-2H3
InChIKeyUHDFIMZUODPLSL-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol (CID 818999) is 1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol is CC(C)(O)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol?
The InChIKey is UHDFIMZUODPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClOS/c1-8(2,10)5-6-3-4-7(9)11-6/h3-4,10H,5H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol?
1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol has a molecular weight of 190.69 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 818999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).