4-(1-hydroxyethyl)-3-nitrophenol

C8H9NO4 — CID 143117945

IUPAC4-(1-hydroxyethyl)-3-nitrophenol
SMILESCC(O)c1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9NO4/c1-5(10)7-3-2-6(11)4-8(7)9(12)13/h2-5,10-11H,1H3
InChIKeyVXLFNTLNXJKSBR-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.35
Rot. Bonds2

About 4-(1-hydroxyethyl)-3-nitrophenol

4-(1-hydroxyethyl)-3-nitrophenol (PubChem CID 143117945) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-3-nitrophenol.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-3-nitrophenol
PubChem CID143117945
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name4-(1-hydroxyethyl)-3-nitrophenol
SMILESCC(O)c1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9NO4/c1-5(10)7-3-2-6(11)4-8(7)9(12)13/h2-5,10-11H,1H3
InChIKeyVXLFNTLNXJKSBR-UHFFFAOYSA-N
XLogP1.35
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.35
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

ethane;4-(1-hydroxyethyl)-3-nitrophenol
CID 143117944
(1S)-1-(4-methyl-2-nitrophenyl)ethanol
CID 155352153
4-(1-hydroxyethyl)-5-nitrobenzene-1,2-diol
CID 121371654
2,3-dihydroxy-3-(4-hydroxy-2-nitrophenyl)propanenitrile
CID 171870730
1-(4-hydroxy-2-nitrophenyl)-3-(methylamino)propane-1,2-diol
CID 171858441
methyl 2,3-dihydroxy-3-(4-hydroxy-2-nitrophenyl)propanoate
CID 171864555
1-(4-hydroxy-2-nitrophenyl)-4-sulfanylbutane-1,2-diol
CID 171874592
4-methyl-3-nitrophenol
CID 16271
(1R)-1-(5-methyl-2-nitrophenyl)ethanol
CID 144909779
4-hydroxy-2-nitrophenolate
CID 36690956
(1S)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916121
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916122

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-3-nitrophenol?
The IUPAC name of 4-(1-hydroxyethyl)-3-nitrophenol (CID 143117945) is 4-(1-hydroxyethyl)-3-nitrophenol.
What is the SMILES notation for 4-(1-hydroxyethyl)-3-nitrophenol?
The canonical SMILES for 4-(1-hydroxyethyl)-3-nitrophenol is CC(O)c1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 4-(1-hydroxyethyl)-3-nitrophenol?
The InChIKey is VXLFNTLNXJKSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-5(10)7-3-2-6(11)4-8(7)9(12)13/h2-5,10-11H,1H3.
What are the key properties of 4-(1-hydroxyethyl)-3-nitrophenol?
4-(1-hydroxyethyl)-3-nitrophenol has a molecular weight of 183.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-3-nitrophenol is sourced from PubChem (CID 143117945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).