Clobutinol

C₁₄H₂₂ClNO — CID 26937

About Clobutinol

Clobutinol (PubChem CID 26937) has the molecular formula C₁₄H₂₂ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

• Compound Name: Clobutinol
• PubChem CID: 26937
• Molecular Formula: C₁₄H₂₂ClNO
• Molecular Weight: 255.79 g/mol
• Exact Mass: 255.14
• IUPAC Name: 1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
• SMILES: CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1
• InChI: InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3
• InChIKey: KVHHQGIIZCJATJ-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.79
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Clobutinol?

The IUPAC name of Clobutinol (CID 26937) is 1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol.

What is the SMILES notation for Clobutinol?

The canonical SMILES for Clobutinol is CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1.

What is the InChIKey of Clobutinol?

The InChIKey is KVHHQGIIZCJATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3.

What are the key properties of Clobutinol?

Clobutinol has a molecular weight of 255.79 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Clobutinol is sourced from PubChem (CID 26937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 26937 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 686 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.