(Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol

C₁₂H₁₆ClNO — CID 139242788

About (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol

(Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol (PubChem CID 139242788) has the molecular formula C₁₂H₁₆ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol.

Molecular Properties

• Compound Name: (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol
• PubChem CID: 139242788
• Molecular Formula: C₁₂H₁₆ClNO
• Molecular Weight: 225.72 g/mol
• Exact Mass: 225.09
• IUPAC Name: (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol
• SMILES: CCN(CC)/C(O)=C/c1cccc(Cl)c1
• InChI: InChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)9-10-6-5-7-11(13)8-10/h5-9,15H,3-4H2,1-2H3/b12-9-
• InChIKey: YXQRTCCFEUZGGF-XFXZXTDPSA-N
• XLogP: 3.54
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.72
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol?

The IUPAC name of (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol (CID 139242788) is (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol.

What is the SMILES notation for (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol?

The canonical SMILES for (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol is CCN(CC)/C(O)=C/c1cccc(Cl)c1.

What is the InChIKey of (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol?

The InChIKey is YXQRTCCFEUZGGF-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)9-10-6-5-7-11(13)8-10/h5-9,15H,3-4H2,1-2H3/b12-9-.

What are the key properties of (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol?

(Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol has a molecular weight of 225.72 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol is sourced from PubChem (CID 139242788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139242788 — identifiers, structure, computed properties (public domain)

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