2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane

C10H11NO5 — CID 57249027

IUPAC2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane
SMILESCOc1ccc([N+](=O)[O-])c(C2OCCO2)c1
InChIInChI=1S/C10H11NO5/c1-14-7-2-3-9(11(12)13)8(6-7)10-15-4-5-16-10/h2-3,6,10H,4-5H2,1H3
InChIKeyLEJFYDSNJGAHDC-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.65
Rot. Bonds3

About 2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane

2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane (PubChem CID 57249027) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane
PubChem CID57249027
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane
SMILESCOc1ccc([N+](=O)[O-])c(C2OCCO2)c1
InChIInChI=1S/C10H11NO5/c1-14-7-2-3-9(11(12)13)8(6-7)10-15-4-5-16-10/h2-3,6,10H,4-5H2,1H3
InChIKeyLEJFYDSNJGAHDC-UHFFFAOYSA-N
XLogP1.65
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.65
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

3-Methyl-4-nitroanisole
CID 79330
Carbonic acid, 4-nitrophenyl phenylmethyl ester
CID 83737
4-(Benzyloxy)-2-methyl-1-nitrobenzene
CID 257720
5-Methyl-6-nitro-1,3-benzodioxole
CID 4550461
4-Ethoxy-2-methyl-1-nitrobenzene
CID 11564566
2-Methyl-1-nitro-4-(2,2,3,3-tetrafluoropropoxy)benzene
CID 19576664
4-(2,2-Difluoroethoxy)-2-methyl-1-nitrobenzene
CID 19576828
2-(2-Nitrophenyl)-1,3-dioxolane
CID 266960
5-(3-Iodopropoxy)-2-nitrobenzyl alcohol
CID 4684971
4-[(4-Fluorobenzyl)oxy]-2-methyl-1-nitrobenzene
CID 67083367
5-(Methoxymethyl)-6-nitro-1,3-benzodioxole
CID 10512668
3-Methyl-4-nitrophenyl acetate
CID 11356032

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane?
The IUPAC name of 2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane (CID 57249027) is 2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane is COc1ccc([N+](=O)[O-])c(C2OCCO2)c1.
What is the InChIKey of 2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane?
The InChIKey is LEJFYDSNJGAHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-14-7-2-3-9(11(12)13)8(6-7)10-15-4-5-16-10/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane?
2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane has a molecular weight of 225.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-nitrophenyl)-1,3-dioxolane is sourced from PubChem (CID 57249027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).