(4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one

C11H11NO5 — CID 121224381

IUPAC(4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one
SMILESO=C1C[C@@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C11H11NO5/c13-10-5-8(6-17-10)11(14)7-1-3-9(4-2-7)12(15)16/h1-4,8,11,14H,5-6H2/t8-,11+/m1/s1
InChIKeyIUMIPLXSGOMRSD-KCJUWKMLSA-N
MW237.21 g/mol
LogP1.19
Rot. Bonds3

About (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one

(4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one (PubChem CID 121224381) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one
PubChem CID121224381
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name(4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one
SMILESO=C1C[C@@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C11H11NO5/c13-10-5-8(6-17-10)11(14)7-1-3-9(4-2-7)12(15)16/h1-4,8,11,14H,5-6H2/t8-,11+/m1/s1
InChIKeyIUMIPLXSGOMRSD-KCJUWKMLSA-N
XLogP1.19
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one?
The IUPAC name of (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one (CID 121224381) is (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one.
What is the SMILES notation for (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one?
The canonical SMILES for (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one is O=C1C[C@@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)CO1.
What is the InChIKey of (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one?
The InChIKey is IUMIPLXSGOMRSD-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H11NO5/c13-10-5-8(6-17-10)11(14)7-1-3-9(4-2-7)12(15)16/h1-4,8,11,14H,5-6H2/t8-,11+/m1/s1.
What are the key properties of (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one?
(4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one has a molecular weight of 237.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]oxolan-2-one is sourced from PubChem (CID 121224381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).