Chloroxylenol

C₈H₉ClO — CID 2723

About Chloroxylenol

Chloroxylenol (PubChem CID 2723) has the molecular formula C₈H₉ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is 4-chloro-3,5-dimethylphenol.

Molecular Properties

• Compound Name: Chloroxylenol
• PubChem CID: 2723
• Molecular Formula: C₈H₉ClO
• Molecular Weight: 156.61 g/mol
• Exact Mass: 156.03
• IUPAC Name: 4-chloro-3,5-dimethylphenol
• SMILES: Cc1cc(O)cc(C)c1Cl
• InChI: InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
• InChIKey: OSDLLIBGSJNGJE-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	156.61
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Chloroxylenol?

The IUPAC name of Chloroxylenol (CID 2723) is 4-chloro-3,5-dimethylphenol.

What is the SMILES notation for Chloroxylenol?

The canonical SMILES for Chloroxylenol is Cc1cc(O)cc(C)c1Cl.

What is the InChIKey of Chloroxylenol?

The InChIKey is OSDLLIBGSJNGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3.

What are the key properties of Chloroxylenol?

Chloroxylenol has a molecular weight of 156.61 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Chloroxylenol is sourced from PubChem (CID 2723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2723 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3094 — approved-drug record (CC BY-SA 4.0)

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