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

C₈H₁₁ClOS — CID 61088930

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

1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol (PubChem CID 61088930) 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-1-ol.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
• PubChem CID: 61088930
• Molecular Formula: C₈H₁₁ClOS
• Molecular Weight: 190.69 g/mol
• Exact Mass: 190.02
• IUPAC Name: 1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
• SMILES: CC(C)C(O)c1ccc(Cl)s1
• InChI: InChI=1S/C8H11ClOS/c1-5(2)8(10)6-3-4-7(9)11-6/h3-5,8,10H,1-2H3
• InChIKey: PPWZATHSNXMANM-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	190.69
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol?

The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol (CID 61088930) is 1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol is CC(C)C(O)c1ccc(Cl)s1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol?

The InChIKey is PPWZATHSNXMANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClOS/c1-5(2)8(10)6-3-4-7(9)11-6/h3-5,8,10H,1-2H3.

What are the key properties of 1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol?

1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol has a molecular weight of 190.69 g/mol, XLogP of 3.09, 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-1-ol is sourced from PubChem (CID 61088930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61088930 — identifiers, structure, computed properties (public domain)

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