4-(2-hydroxyethoxymethyl)-3-nitrophenol

C9H11NO5 — CID 67867571

IUPAC4-(2-hydroxyethoxymethyl)-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1COCCO
InChIInChI=1S/C9H11NO5/c11-3-4-15-6-7-1-2-8(12)5-9(7)10(13)14/h1-2,5,11-12H,3-4,6H2
InChIKeyFPFVVOAREPSUAG-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.81
Rot. Bonds5

About 4-(2-hydroxyethoxymethyl)-3-nitrophenol

4-(2-hydroxyethoxymethyl)-3-nitrophenol (PubChem CID 67867571) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-(2-hydroxyethoxymethyl)-3-nitrophenol.

Molecular Properties

Compound Name4-(2-hydroxyethoxymethyl)-3-nitrophenol
PubChem CID67867571
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name4-(2-hydroxyethoxymethyl)-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1COCCO
InChIInChI=1S/C9H11NO5/c11-3-4-15-6-7-1-2-8(12)5-9(7)10(13)14/h1-2,5,11-12H,3-4,6H2
InChIKeyFPFVVOAREPSUAG-UHFFFAOYSA-N
XLogP0.81
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyethoxyamino)-3-nitrophenol
CID 141096518
3-[(4-chloro-2-nitrophenyl)methoxy]propan-1-amine
CID 62344232
3-(chloromethyl)-4-nitrophenol
CID 15065078
1-(butoxymethyl)-4-chloro-2-nitrobenzene
CID 91725296
2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol
CID 114381269
tert-butyl 3-(4-hydroxy-2-nitrophenyl)propanoate
CID 546506
(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid
CID 134160007
4-hydroxy-2-nitrophenolate
CID 36690956
4-methyl-3-nitrophenol
CID 16271
(5-hydroxy-2-nitrophenyl)mercury
CID 67545657
2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol
CID 15221740
(2-nitrophenyl)methanol;3-[(2-nitrophenyl)methoxy]propanal
CID 173315018

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxymethyl)-3-nitrophenol?
The IUPAC name of 4-(2-hydroxyethoxymethyl)-3-nitrophenol (CID 67867571) is 4-(2-hydroxyethoxymethyl)-3-nitrophenol.
What is the SMILES notation for 4-(2-hydroxyethoxymethyl)-3-nitrophenol?
The canonical SMILES for 4-(2-hydroxyethoxymethyl)-3-nitrophenol is O=[N+]([O-])c1cc(O)ccc1COCCO.
What is the InChIKey of 4-(2-hydroxyethoxymethyl)-3-nitrophenol?
The InChIKey is FPFVVOAREPSUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c11-3-4-15-6-7-1-2-8(12)5-9(7)10(13)14/h1-2,5,11-12H,3-4,6H2.
What are the key properties of 4-(2-hydroxyethoxymethyl)-3-nitrophenol?
4-(2-hydroxyethoxymethyl)-3-nitrophenol has a molecular weight of 213.19 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxymethyl)-3-nitrophenol is sourced from PubChem (CID 67867571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).