3-(3-aminophenyl)oxolan-3-ol

C₁₀H₁₃NO₂ — CID 105437970

About 3-(3-aminophenyl)oxolan-3-ol

3-(3-aminophenyl)oxolan-3-ol (PubChem CID 105437970) has the molecular formula C₁₀H₁₃NO₂ and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(3-aminophenyl)oxolan-3-ol.

Molecular Properties

• Compound Name: 3-(3-aminophenyl)oxolan-3-ol
• PubChem CID: 105437970
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.22 g/mol
• Exact Mass: 179.09
• IUPAC Name: 3-(3-aminophenyl)oxolan-3-ol
• SMILES: Nc1cccc(C2(O)CCOC2)c1
• InChI: InChI=1S/C10H13NO2/c11-9-3-1-2-8(6-9)10(12)4-5-13-7-10/h1-3,6,12H,4-5,7,11H2
• InChIKey: YJEDSSIOJZPRJE-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 55.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.22
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)oxolan-3-ol?

The IUPAC name of 3-(3-aminophenyl)oxolan-3-ol (CID 105437970) is 3-(3-aminophenyl)oxolan-3-ol.

What is the SMILES notation for 3-(3-aminophenyl)oxolan-3-ol?

The canonical SMILES for 3-(3-aminophenyl)oxolan-3-ol is Nc1cccc(C2(O)CCOC2)c1.

What is the InChIKey of 3-(3-aminophenyl)oxolan-3-ol?

The InChIKey is YJEDSSIOJZPRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-9-3-1-2-8(6-9)10(12)4-5-13-7-10/h1-3,6,12H,4-5,7,11H2.

What are the key properties of 3-(3-aminophenyl)oxolan-3-ol?

3-(3-aminophenyl)oxolan-3-ol has a molecular weight of 179.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-aminophenyl)oxolan-3-ol is sourced from PubChem (CID 105437970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105437970 — identifiers, structure, computed properties (public domain)

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