(2R)-1-nitro-2-phenylpropan-2-ol

C9H11NO3 — CID 101414779

IUPAC(2R)-1-nitro-2-phenylpropan-2-ol
SMILESC[C@](O)(C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C9H11NO3/c1-9(11,7-10(12)13)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3/t9-/m0/s1
InChIKeyYZUXCMFXLNWAGB-VIFPVBQESA-N
MW181.19 g/mol
LogP1.17
Rot. Bonds3

About (2R)-1-nitro-2-phenylpropan-2-ol

(2R)-1-nitro-2-phenylpropan-2-ol (PubChem CID 101414779) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2R)-1-nitro-2-phenylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-nitro-2-phenylpropan-2-ol
PubChem CID101414779
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2R)-1-nitro-2-phenylpropan-2-ol
SMILESC[C@](O)(C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C9H11NO3/c1-9(11,7-10(12)13)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3/t9-/m0/s1
InChIKeyYZUXCMFXLNWAGB-VIFPVBQESA-N
XLogP1.17
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.17
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'}

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Related Compounds

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(3S)-3-methyl-4-nitro-3-phenylbutanal
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propan-2-yl (2S)-2-hydroxy-3-nitro-2-phenylpropanoate
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benzyl 2-hydroxy-3-nitro-2-phenylpropanoate
CID 162413901
1-(4-nitrophenyl)sulfanyl-2-phenylpropan-2-ol
CID 62373997
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-nitro-2-phenylpropan-2-ol?
The IUPAC name of (2R)-1-nitro-2-phenylpropan-2-ol (CID 101414779) is (2R)-1-nitro-2-phenylpropan-2-ol.
What is the SMILES notation for (2R)-1-nitro-2-phenylpropan-2-ol?
The canonical SMILES for (2R)-1-nitro-2-phenylpropan-2-ol is C[C@](O)(C[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (2R)-1-nitro-2-phenylpropan-2-ol?
The InChIKey is YZUXCMFXLNWAGB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11NO3/c1-9(11,7-10(12)13)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-1-nitro-2-phenylpropan-2-ol?
(2R)-1-nitro-2-phenylpropan-2-ol has a molecular weight of 181.19 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-nitro-2-phenylpropan-2-ol is sourced from PubChem (CID 101414779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).