(2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile

C10H10N2O4 — CID 8946929

IUPAC(2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@H](C)C#N
InChIInChI=1S/C10H10N2O4/c1-7(6-11)16-10-5-8(12(13)14)3-4-9(10)15-2/h3-5,7H,1-2H3/t7-/m1/s1
InChIKeyUNSHTUYRSRNJRY-SSDOTTSWSA-N
MW222.20 g/mol
LogP1.89
Rot. Bonds4

About (2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile

(2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile (PubChem CID 8946929) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is (2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile.

Molecular Properties

Compound Name(2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile
PubChem CID8946929
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name(2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@H](C)C#N
InChIInChI=1S/C10H10N2O4/c1-7(6-11)16-10-5-8(12(13)14)3-4-9(10)15-2/h3-5,7H,1-2H3/t7-/m1/s1
InChIKeyUNSHTUYRSRNJRY-SSDOTTSWSA-N
XLogP1.89
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
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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Related Compounds

2-(1-chloroethoxy)-1-methoxy-4-nitrobenzene
CID 174987281
1-methoxy-4-nitro-2-[(1S)-1-(3-nitrophenyl)ethoxy]benzene
CID 9356044
2-(2-acetyl-4-nitrophenoxy)propanenitrile
CID 116541633
(2S)-2-(4-methoxy-2-nitrophenoxy)propanenitrile
CID 7681030
3-(2-methoxy-4-nitrophenoxy)butanenitrile
CID 114997056
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731
2-[2-(3-nitrophenyl)phenoxy]propanenitrile
CID 11391514
(2S)-2-[2-(3-nitrophenyl)phenoxy]propanenitrile
CID 129382605
4-(2-methoxy-5-nitrophenoxy)pentanoic acid
CID 62213612
1-methoxy-4-nitro-2-(4-phenylbutan-2-yloxy)benzene
CID 70163100
(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931796
2-(2-methoxy-5-nitrophenoxy)butanoic acid
CID 43808815

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile?
The IUPAC name of (2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile (CID 8946929) is (2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile.
What is the SMILES notation for (2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile?
The canonical SMILES for (2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile is COc1ccc([N+](=O)[O-])cc1O[C@H](C)C#N.
What is the InChIKey of (2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile?
The InChIKey is UNSHTUYRSRNJRY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-7(6-11)16-10-5-8(12(13)14)3-4-9(10)15-2/h3-5,7H,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile?
(2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile has a molecular weight of 222.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile is sourced from PubChem (CID 8946929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).