4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol

C₁₅H₁₆FNO₂ — CID 107690995

About 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol

4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol (PubChem CID 107690995) has the molecular formula C₁₅H₁₆FNO₂ and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol.

Molecular Properties

• Compound Name: 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol
• PubChem CID: 107690995
• Molecular Formula: C₁₅H₁₆FNO₂
• Molecular Weight: 261.30 g/mol
• Exact Mass: 261.12
• IUPAC Name: 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol
• SMILES: NC(Cc1ccccc1)C(O)c1ccc(O)c(F)c1
• InChI: InChI=1S/C15H16FNO2/c16-12-9-11(6-7-14(12)18)15(19)13(17)8-10-4-2-1-3-5-10/h1-7,9,13,15,18-19H,8,17H2
• InChIKey: IWVKRBRYNSMXMN-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 66.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.30
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol?

The IUPAC name of 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol (CID 107690995) is 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol.

What is the SMILES notation for 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol?

The canonical SMILES for 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol is NC(Cc1ccccc1)C(O)c1ccc(O)c(F)c1.

What is the InChIKey of 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol?

The InChIKey is IWVKRBRYNSMXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-12-9-11(6-7-14(12)18)15(19)13(17)8-10-4-2-1-3-5-10/h1-7,9,13,15,18-19H,8,17H2.

What are the key properties of 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol?

4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol has a molecular weight of 261.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol is sourced from PubChem (CID 107690995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107690995 — identifiers, structure, computed properties (public domain)

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