2-(1-hydroxyethoxy)-5-nitrophenol

C8H9NO5 — CID 67929742

IUPAC2-(1-hydroxyethoxy)-5-nitrophenol
SMILESCC(O)Oc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C8H9NO5/c1-5(10)14-8-3-2-6(9(12)13)4-7(8)11/h2-5,10-11H,1H3
InChIKeyQWAOSDWOTFTOFV-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.02
Rot. Bonds3

About 2-(1-hydroxyethoxy)-5-nitrophenol

2-(1-hydroxyethoxy)-5-nitrophenol (PubChem CID 67929742) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-(1-hydroxyethoxy)-5-nitrophenol.

Molecular Properties

Compound Name2-(1-hydroxyethoxy)-5-nitrophenol
PubChem CID67929742
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name2-(1-hydroxyethoxy)-5-nitrophenol
SMILESCC(O)Oc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C8H9NO5/c1-5(10)14-8-3-2-6(9(12)13)4-7(8)11/h2-5,10-11H,1H3
InChIKeyQWAOSDWOTFTOFV-UHFFFAOYSA-N
XLogP1.02
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxyethoxy)-5-nitrophenol 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-(2-amino-5-nitrophenoxy)ethanol
CID 70496099
3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol
CID 67901547
sodium;hydride;2-methoxy-5-nitrophenol
CID 173002361
2-(difluoromethoxy)-4-nitrophenol
CID 118799292
2-butoxy-5-nitrophenol
CID 141158099
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]butan-2-ol
CID 104890180
4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol
CID 147971666
5-nitro-2-tetradecoxyphenol
CID 19747178
2-(4-chlorophenoxy)-5-nitrophenol
CID 150663089
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
propan-2-yl 2-hydroxy-4-nitrobenzoate
CID 131865542
ethane;2-methoxy-4-nitrophenol
CID 91188946

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethoxy)-5-nitrophenol?
The IUPAC name of 2-(1-hydroxyethoxy)-5-nitrophenol (CID 67929742) is 2-(1-hydroxyethoxy)-5-nitrophenol.
What is the SMILES notation for 2-(1-hydroxyethoxy)-5-nitrophenol?
The canonical SMILES for 2-(1-hydroxyethoxy)-5-nitrophenol is CC(O)Oc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 2-(1-hydroxyethoxy)-5-nitrophenol?
The InChIKey is QWAOSDWOTFTOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c1-5(10)14-8-3-2-6(9(12)13)4-7(8)11/h2-5,10-11H,1H3.
What are the key properties of 2-(1-hydroxyethoxy)-5-nitrophenol?
2-(1-hydroxyethoxy)-5-nitrophenol has a molecular weight of 199.16 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethoxy)-5-nitrophenol is sourced from PubChem (CID 67929742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).