4-[(3-bromofuran-2-yl)methylamino]phenol

C11H10BrNO2 — CID 102809769

IUPAC4-[(3-bromofuran-2-yl)methylamino]phenol
SMILESOc1ccc(NCc2occc2Br)cc1
InChIInChI=1S/C11H10BrNO2/c12-10-5-6-15-11(10)7-13-8-1-3-9(14)4-2-8/h1-6,13-14H,7H2
InChIKeyARJWNJQOZWCNOA-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.36
Rot. Bonds3

About 4-[(3-bromofuran-2-yl)methylamino]phenol

4-[(3-bromofuran-2-yl)methylamino]phenol (PubChem CID 102809769) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 4-[(3-bromofuran-2-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(3-bromofuran-2-yl)methylamino]phenol
PubChem CID102809769
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name4-[(3-bromofuran-2-yl)methylamino]phenol
SMILESOc1ccc(NCc2occc2Br)cc1
InChIInChI=1S/C11H10BrNO2/c12-10-5-6-15-11(10)7-13-8-1-3-9(14)4-2-8/h1-6,13-14H,7H2
InChIKeyARJWNJQOZWCNOA-UHFFFAOYSA-N
XLogP3.36
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromofuran-2-yl)methylamino]phenol?
The IUPAC name of 4-[(3-bromofuran-2-yl)methylamino]phenol (CID 102809769) is 4-[(3-bromofuran-2-yl)methylamino]phenol.
What is the SMILES notation for 4-[(3-bromofuran-2-yl)methylamino]phenol?
The canonical SMILES for 4-[(3-bromofuran-2-yl)methylamino]phenol is Oc1ccc(NCc2occc2Br)cc1.
What is the InChIKey of 4-[(3-bromofuran-2-yl)methylamino]phenol?
The InChIKey is ARJWNJQOZWCNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c12-10-5-6-15-11(10)7-13-8-1-3-9(14)4-2-8/h1-6,13-14H,7H2.
What are the key properties of 4-[(3-bromofuran-2-yl)methylamino]phenol?
4-[(3-bromofuran-2-yl)methylamino]phenol has a molecular weight of 268.11 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromofuran-2-yl)methylamino]phenol is sourced from PubChem (CID 102809769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).