4-(2-hydroxyethyl)-2-nitrophenol

C8H9NO4 — CID 14520116

IUPAC4-(2-hydroxyethyl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(CCO)ccc1O
InChIInChI=1S/C8H9NO4/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,5,10-11H,3-4H2
InChIKeyIPWLQQBKTBBLID-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.84
Rot. Bonds3

About 4-(2-hydroxyethyl)-2-nitrophenol

4-(2-hydroxyethyl)-2-nitrophenol (PubChem CID 14520116) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-nitrophenol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-nitrophenol
PubChem CID14520116
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name4-(2-hydroxyethyl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(CCO)ccc1O
InChIInChI=1S/C8H9NO4/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,5,10-11H,3-4H2
InChIKeyIPWLQQBKTBBLID-UHFFFAOYSA-N
XLogP0.84
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.84
H-Bond Donors ≤ 52
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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Related Compounds

4-Methyl-2-nitrophenol
CID 8391
2,6-Dinitro-p-cresol
CID 11872
Phenol, 4-(1-methylethyl)-2,6-dinitro-
CID 77730
4-Hydroxy-3-nitrophenylacetic acid
CID 447364
2-Nitro-4-(trifluoromethyl)phenol
CID 9816
3-Nitro(1,1'-biphenyl)-4-ol
CID 13447
4-tert-Butyl-2,6-dinitrophenol
CID 20042
Phenol, 4-(1,1-dimethylethyl)-2-nitro-
CID 18661
3,3'-Dinitrobisphenol A
CID 219958
2,6-Dinitro-4-octylphenol
CID 20040
Phenol, 4-((bis(2-hydroxyethyl)amino)methyl)-2-nitro-, hydrochloride
CID 3060241
2-Allyl-4-nitrophenol
CID 258439

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2-nitrophenol?
The IUPAC name of 4-(2-hydroxyethyl)-2-nitrophenol (CID 14520116) is 4-(2-hydroxyethyl)-2-nitrophenol.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-nitrophenol?
The canonical SMILES for 4-(2-hydroxyethyl)-2-nitrophenol is O=[N+]([O-])c1cc(CCO)ccc1O.
What is the InChIKey of 4-(2-hydroxyethyl)-2-nitrophenol?
The InChIKey is IPWLQQBKTBBLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,5,10-11H,3-4H2.
What are the key properties of 4-(2-hydroxyethyl)-2-nitrophenol?
4-(2-hydroxyethyl)-2-nitrophenol has a molecular weight of 183.16 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2-nitrophenol is sourced from PubChem (CID 14520116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).