hydron;2-(4-nitrophenyl)ethanol

C8H10NO3+ — CID 131851380

IUPAChydron;2-(4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(CCO)cc1.[H+]
InChIInChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2/p+1
InChIKeyIKMXRUOZUUKSON-UHFFFAOYSA-O
MW168.17 g/mol
LogP1.24
Rot. Bonds3

About hydron;2-(4-nitrophenyl)ethanol

hydron;2-(4-nitrophenyl)ethanol (PubChem CID 131851380) has the molecular formula C8H10NO3+ and a molecular weight of 168.17 g/mol. Its IUPAC name is hydron;2-(4-nitrophenyl)ethanol.

Molecular Properties

Compound Namehydron;2-(4-nitrophenyl)ethanol
PubChem CID131851380
Molecular FormulaC8H10NO3+
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Namehydron;2-(4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(CCO)cc1.[H+]
InChIInChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2/p+1
InChIKeyIKMXRUOZUUKSON-UHFFFAOYSA-O
XLogP1.24
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze hydron;2-(4-nitrophenyl)ethanol 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

3-(4-nitrophenyl)propanoate
CID 6923582
dideuterio-(4-nitrophenyl)methanol
CID 10241023
1-[2-(6-bromohexoxy)ethyl]-4-nitrobenzene;2-(4-nitrophenyl)ethanol
CID 88597380
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
ethane;1-nitro-4-propylbenzene
CID 123575523
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
2-(4-nitrophenyl)ethylazanium nitrate
CID 140513510
2-(4-nitrophenyl)acetaldehyde;2-(3-nitrophenyl)ethanol
CID 158123582
5-[2-(4-nitrophenyl)ethylamino]pentan-1-ol
CID 62229014
2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 107713105
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
CID 157363920
CID 157363920

Frequently Asked Questions

What is the IUPAC name of hydron;2-(4-nitrophenyl)ethanol?
The IUPAC name of hydron;2-(4-nitrophenyl)ethanol (CID 131851380) is hydron;2-(4-nitrophenyl)ethanol.
What is the SMILES notation for hydron;2-(4-nitrophenyl)ethanol?
The canonical SMILES for hydron;2-(4-nitrophenyl)ethanol is O=[N+]([O-])c1ccc(CCO)cc1.[H+].
What is the InChIKey of hydron;2-(4-nitrophenyl)ethanol?
The InChIKey is IKMXRUOZUUKSON-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2/p+1.
What are the key properties of hydron;2-(4-nitrophenyl)ethanol?
hydron;2-(4-nitrophenyl)ethanol has a molecular weight of 168.17 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-(4-nitrophenyl)ethanol is sourced from PubChem (CID 131851380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).