2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol

C14H9NO5 — CID 10192891

IUPAC2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol
SMILESO=[N+]([O-])c1cc(O)cc2cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C14H9NO5/c16-10-3-1-8(2-4-10)13-6-9-5-11(17)7-12(15(18)19)14(9)20-13/h1-7,16-17H
InChIKeyHPXBVUXBKBSUKE-UHFFFAOYSA-N
MW271.23 g/mol
LogP3.42
Rot. Bonds2

About 2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol

2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol (PubChem CID 10192891) has the molecular formula C14H9NO5 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol
PubChem CID10192891
Molecular FormulaC14H9NO5
Molecular Weight271.23 g/mol
Exact Mass271.05
IUPAC Name2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol
SMILESO=[N+]([O-])c1cc(O)cc2cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C14H9NO5/c16-10-3-1-8(2-4-10)13-6-9-5-11(17)7-12(15(18)19)14(9)20-13/h1-7,16-17H
InChIKeyHPXBVUXBKBSUKE-UHFFFAOYSA-N
XLogP3.42
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol (CID 10192891) is 2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol is O=[N+]([O-])c1cc(O)cc2cc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol?
The InChIKey is HPXBVUXBKBSUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO5/c16-10-3-1-8(2-4-10)13-6-9-5-11(17)7-12(15(18)19)14(9)20-13/h1-7,16-17H.
What are the key properties of 2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol?
2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol has a molecular weight of 271.23 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-7-nitro-1-benzofuran-5-ol is sourced from PubChem (CID 10192891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).