5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol

C10H9NO5 — CID 177352259

IUPAC5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol
SMILESCC(O)c1cc2ccoc2c(O)c1[N+](=O)[O-]
InChIInChI=1S/C10H9NO5/c1-5(12)7-4-6-2-3-16-10(6)9(13)8(7)11(14)15/h2-5,12-13H,1H3
InChIKeyQCIQKGHGULGUHB-UHFFFAOYSA-N
MW223.18 g/mol
LogP2.10
Rot. Bonds2

About 5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol

5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol (PubChem CID 177352259) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol
PubChem CID177352259
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol
SMILESCC(O)c1cc2ccoc2c(O)c1[N+](=O)[O-]
InChIInChI=1S/C10H9NO5/c1-5(12)7-4-6-2-3-16-10(6)9(13)8(7)11(14)15/h2-5,12-13H,1H3
InChIKeyQCIQKGHGULGUHB-UHFFFAOYSA-N
XLogP2.10
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 52.10
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'}

Analyze 5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-nitropyren-2-yl)ethanol
CID 25186271
4-(1-hydroxyethyl)-5-nitrobenzene-1,2-diol
CID 121371654
4-bromo-2-(1-hydroxyethyl)-6-nitrophenol
CID 69261586
4-(1-hydroxyethyl)-3-nitrophenol
CID 143117945
(1S)-1-(4-methyl-2-nitrophenyl)ethanol
CID 155352153
(1R)-1-(5-methyl-2-nitrophenyl)ethanol
CID 144909779
ethane;4-(1-hydroxyethyl)-3-nitrophenol
CID 143117944
7-bromo-5-nitro-1-benzofuran
CID 22144877
1-[7-(4-methoxyphenyl)-6-nitro-1,3-benzodioxol-5-yl]ethanol
CID 177352331
(1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine
CID 155289805
tert-butyl N-[1-(5-nitro-1-benzofuran-7-yl)propan-2-yl]carbamate
CID 22144745
1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61038303

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol?
The IUPAC name of 5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol (CID 177352259) is 5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol.
What is the SMILES notation for 5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol?
The canonical SMILES for 5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol is CC(O)c1cc2ccoc2c(O)c1[N+](=O)[O-].
What is the InChIKey of 5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol?
The InChIKey is QCIQKGHGULGUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c1-5(12)7-4-6-2-3-16-10(6)9(13)8(7)11(14)15/h2-5,12-13H,1H3.
What are the key properties of 5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol?
5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol has a molecular weight of 223.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-6-nitro-1-benzofuran-7-ol is sourced from PubChem (CID 177352259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).