(1R,2R)-1-nitro-1-phenylpentan-2-ol

C11H15NO3 — CID 11543020

IUPAC(1R,2R)-1-nitro-1-phenylpentan-2-ol
SMILESCCC[C@@H](O)[C@@H](c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C11H15NO3/c1-2-6-10(13)11(12(14)15)9-7-4-3-5-8-9/h3-5,7-8,10-11,13H,2,6H2,1H3/t10-,11-/m1/s1
InChIKeyOZXPUESOJUJXEM-GHMZBOCLSA-N
MW209.25 g/mol
LogP2.17
Rot. Bonds5

About (1R,2R)-1-nitro-1-phenylpentan-2-ol

(1R,2R)-1-nitro-1-phenylpentan-2-ol (PubChem CID 11543020) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (1R,2R)-1-nitro-1-phenylpentan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-nitro-1-phenylpentan-2-ol
PubChem CID11543020
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(1R,2R)-1-nitro-1-phenylpentan-2-ol
SMILESCCC[C@@H](O)[C@@H](c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C11H15NO3/c1-2-6-10(13)11(12(14)15)9-7-4-3-5-8-9/h3-5,7-8,10-11,13H,2,6H2,1H3/t10-,11-/m1/s1
InChIKeyOZXPUESOJUJXEM-GHMZBOCLSA-N
XLogP2.17
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.17
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 (1R,2R)-1-nitro-1-phenylpentan-2-ol 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

2-amino-3-nitro-3-phenylpropanoic acid
CID 10954802
(3S,4S)-4-hydroxy-3-phenylheptan-2-one
CID 95004321
(1S,2S)-1-nitro-2-phenylethane-1,2-diol
CID 101193142
benzene;nitro(phenyl)methanol
CID 174698323
1-phenylhexane-2,3-diol
CID 68731092
4,6-diphenylnonane-1,1-diol
CID 162161241
(3R,4S)-4-nitro-1-phenylhexan-3-ol
CID 101032365
N,N-dimethyl-1-nitro-1-phenylbut-3-en-2-amine
CID 174509699
(2R,3R)-1-nitro-3-phenylbutan-2-ol
CID 102161516
diethyl 2-methylidene-3-[nitro(phenyl)methyl]butanedioate
CID 101497480
nitric acid;1-phenylethanol
CID 67855225
1-phenyl-2-propylpentan-1-ol
CID 82987900

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-nitro-1-phenylpentan-2-ol?
The IUPAC name of (1R,2R)-1-nitro-1-phenylpentan-2-ol (CID 11543020) is (1R,2R)-1-nitro-1-phenylpentan-2-ol.
What is the SMILES notation for (1R,2R)-1-nitro-1-phenylpentan-2-ol?
The canonical SMILES for (1R,2R)-1-nitro-1-phenylpentan-2-ol is CCC[C@@H](O)[C@@H](c1ccccc1)[N+](=O)[O-].
What is the InChIKey of (1R,2R)-1-nitro-1-phenylpentan-2-ol?
The InChIKey is OZXPUESOJUJXEM-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-6-10(13)11(12(14)15)9-7-4-3-5-8-9/h3-5,7-8,10-11,13H,2,6H2,1H3/t10-,11-/m1/s1.
What are the key properties of (1R,2R)-1-nitro-1-phenylpentan-2-ol?
(1R,2R)-1-nitro-1-phenylpentan-2-ol has a molecular weight of 209.25 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-nitro-1-phenylpentan-2-ol is sourced from PubChem (CID 11543020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).