4-amino-2-(furan-3-yl)phenol

C10H9NO2 — CID 15553238

IUPAC4-amino-2-(furan-3-yl)phenol
SMILESNc1ccc(O)c(-c2ccoc2)c1
InChIInChI=1S/C10H9NO2/c11-8-1-2-10(12)9(5-8)7-3-4-13-6-7/h1-6,12H,11H2
InChIKeyCBWHVYRYADXRCX-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.23
Rot. Bonds1

About 4-amino-2-(furan-3-yl)phenol

4-amino-2-(furan-3-yl)phenol (PubChem CID 15553238) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-amino-2-(furan-3-yl)phenol.

Molecular Properties

Compound Name4-amino-2-(furan-3-yl)phenol
PubChem CID15553238
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-amino-2-(furan-3-yl)phenol
SMILESNc1ccc(O)c(-c2ccoc2)c1
InChIInChI=1S/C10H9NO2/c11-8-1-2-10(12)9(5-8)7-3-4-13-6-7/h1-6,12H,11H2
InChIKeyCBWHVYRYADXRCX-UHFFFAOYSA-N
XLogP2.23
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(furan-3-yl)phenol?
The IUPAC name of 4-amino-2-(furan-3-yl)phenol (CID 15553238) is 4-amino-2-(furan-3-yl)phenol.
What is the SMILES notation for 4-amino-2-(furan-3-yl)phenol?
The canonical SMILES for 4-amino-2-(furan-3-yl)phenol is Nc1ccc(O)c(-c2ccoc2)c1.
What is the InChIKey of 4-amino-2-(furan-3-yl)phenol?
The InChIKey is CBWHVYRYADXRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-8-1-2-10(12)9(5-8)7-3-4-13-6-7/h1-6,12H,11H2.
What are the key properties of 4-amino-2-(furan-3-yl)phenol?
4-amino-2-(furan-3-yl)phenol has a molecular weight of 175.19 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(furan-3-yl)phenol is sourced from PubChem (CID 15553238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).