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

C10H10ClNO2 — CID 22596887

IUPAC4-amino-2-(furan-3-yl)phenol;hydrochloride
SMILESCl.Nc1ccc(O)c(-c2ccoc2)c1
InChIInChI=1S/C10H9NO2.ClH/c11-8-1-2-10(12)9(5-8)7-3-4-13-6-7;/h1-6,12H,11H2;1H
InChIKeyQIRHBYGVEVRAOR-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.66
Rot. Bonds1

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

4-amino-2-(furan-3-yl)phenol;hydrochloride (PubChem CID 22596887) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-amino-2-(furan-3-yl)phenol;hydrochloride.

Molecular Properties

Compound Name4-amino-2-(furan-3-yl)phenol;hydrochloride
PubChem CID22596887
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name4-amino-2-(furan-3-yl)phenol;hydrochloride
SMILESCl.Nc1ccc(O)c(-c2ccoc2)c1
InChIInChI=1S/C10H9NO2.ClH/c11-8-1-2-10(12)9(5-8)7-3-4-13-6-7;/h1-6,12H,11H2;1H
InChIKeyQIRHBYGVEVRAOR-UHFFFAOYSA-N
XLogP2.66
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.66
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;hydrochloride?
The IUPAC name of 4-amino-2-(furan-3-yl)phenol;hydrochloride (CID 22596887) is 4-amino-2-(furan-3-yl)phenol;hydrochloride.
What is the SMILES notation for 4-amino-2-(furan-3-yl)phenol;hydrochloride?
The canonical SMILES for 4-amino-2-(furan-3-yl)phenol;hydrochloride is Cl.Nc1ccc(O)c(-c2ccoc2)c1.
What is the InChIKey of 4-amino-2-(furan-3-yl)phenol;hydrochloride?
The InChIKey is QIRHBYGVEVRAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.ClH/c11-8-1-2-10(12)9(5-8)7-3-4-13-6-7;/h1-6,12H,11H2;1H.
What are the key properties of 4-amino-2-(furan-3-yl)phenol;hydrochloride?
4-amino-2-(furan-3-yl)phenol;hydrochloride has a molecular weight of 211.65 g/mol, XLogP of 2.66, 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;hydrochloride is sourced from PubChem (CID 22596887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).