3-(5-nitro-1-benzofuran-2-yl)phenol

C14H9NO4 — CID 122191885

IUPAC3-(5-nitro-1-benzofuran-2-yl)phenol
SMILESO=[N+]([O-])c1ccc2oc(-c3cccc(O)c3)cc2c1
InChIInChI=1S/C14H9NO4/c16-12-3-1-2-9(7-12)14-8-10-6-11(15(17)18)4-5-13(10)19-14/h1-8,16H
InChIKeyQHTZZLZILHYRJL-UHFFFAOYSA-N
MW255.23 g/mol
LogP3.71
Rot. Bonds2

About 3-(5-nitro-1-benzofuran-2-yl)phenol

3-(5-nitro-1-benzofuran-2-yl)phenol (PubChem CID 122191885) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-(5-nitro-1-benzofuran-2-yl)phenol.

Molecular Properties

Compound Name3-(5-nitro-1-benzofuran-2-yl)phenol
PubChem CID122191885
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name3-(5-nitro-1-benzofuran-2-yl)phenol
SMILESO=[N+]([O-])c1ccc2oc(-c3cccc(O)c3)cc2c1
InChIInChI=1S/C14H9NO4/c16-12-3-1-2-9(7-12)14-8-10-6-11(15(17)18)4-5-13(10)19-14/h1-8,16H
InChIKeyQHTZZLZILHYRJL-UHFFFAOYSA-N
XLogP3.71
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-nitro-1-benzofuran-2-yl)phenol?
The IUPAC name of 3-(5-nitro-1-benzofuran-2-yl)phenol (CID 122191885) is 3-(5-nitro-1-benzofuran-2-yl)phenol.
What is the SMILES notation for 3-(5-nitro-1-benzofuran-2-yl)phenol?
The canonical SMILES for 3-(5-nitro-1-benzofuran-2-yl)phenol is O=[N+]([O-])c1ccc2oc(-c3cccc(O)c3)cc2c1.
What is the InChIKey of 3-(5-nitro-1-benzofuran-2-yl)phenol?
The InChIKey is QHTZZLZILHYRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c16-12-3-1-2-9(7-12)14-8-10-6-11(15(17)18)4-5-13(10)19-14/h1-8,16H.
What are the key properties of 3-(5-nitro-1-benzofuran-2-yl)phenol?
3-(5-nitro-1-benzofuran-2-yl)phenol has a molecular weight of 255.23 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitro-1-benzofuran-2-yl)phenol is sourced from PubChem (CID 122191885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).