3-[(5-chloro-2-methylphenyl)iminomethyl]phenol

C₁₄H₁₂ClNO — CID 126216051

About 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol

3-[(5-chloro-2-methylphenyl)iminomethyl]phenol (PubChem CID 126216051) has the molecular formula C₁₄H₁₂ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol.

Molecular Properties

• Compound Name: 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol
• PubChem CID: 126216051
• Molecular Formula: C₁₄H₁₂ClNO
• Molecular Weight: 245.71 g/mol
• Exact Mass: 245.06
• IUPAC Name: 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol
• SMILES: Cc1ccc(Cl)cc1/N=C/c1cccc(O)c1
• InChI: InChI=1S/C14H12ClNO/c1-10-5-6-12(15)8-14(10)16-9-11-3-2-4-13(17)7-11/h2-9,17H,1H3/b16-9+
• InChIKey: HUWJUIOPFZMPEL-CXUHLZMHSA-N
• XLogP: 4.10
• TPSA: 32.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.71
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol?

The IUPAC name of 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol (CID 126216051) is 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol.

What is the SMILES notation for 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol?

The canonical SMILES for 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol is Cc1ccc(Cl)cc1/N=C/c1cccc(O)c1.

What is the InChIKey of 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol?

The InChIKey is HUWJUIOPFZMPEL-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-10-5-6-12(15)8-14(10)16-9-11-3-2-4-13(17)7-11/h2-9,17H,1H3/b16-9+.

What are the key properties of 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol?

3-[(5-chloro-2-methylphenyl)iminomethyl]phenol has a molecular weight of 245.71 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 126216051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126216051 — identifiers, structure, computed properties (public domain)

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