5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde

C14H17NO6 — CID 65161326

IUPAC5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde
SMILESCOc1cc(C=O)c([N+](=O)[O-])cc1OCCC1CCCO1
InChIInChI=1S/C14H17NO6/c1-19-13-7-10(9-16)12(15(17)18)8-14(13)21-6-4-11-3-2-5-20-11/h7-9,11H,2-6H2,1H3
InChIKeyQEPGJXMXKOJUJN-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.36
Rot. Bonds7

About 5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde

5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde (PubChem CID 65161326) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde
PubChem CID65161326
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde
SMILESCOc1cc(C=O)c([N+](=O)[O-])cc1OCCC1CCCO1
InChIInChI=1S/C14H17NO6/c1-19-13-7-10(9-16)12(15(17)18)8-14(13)21-6-4-11-3-2-5-20-11/h7-9,11H,2-6H2,1H3
InChIKeyQEPGJXMXKOJUJN-UHFFFAOYSA-N
XLogP2.36
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde 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

(2S)-2-[2-(4-methoxy-2-nitrophenoxy)ethyl]oxolane
CID 99826412
5-methoxy-2-nitro-4-(4-oxobutoxy)benzaldehyde
CID 145400075
5-(3-fluoropropoxy)-4-methoxy-2-nitrobenzaldehyde
CID 25051843
4-(2-cyclopropyl-2-oxoethoxy)-5-methoxy-2-nitrobenzaldehyde
CID 63905654
4-hexoxy-5-methoxy-2-nitrobenzaldehyde
CID 43311603
5-methoxy-2-nitro-4-(3-oxobutoxy)benzaldehyde
CID 62033630
4-(4-formyl-2-methoxy-5-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 65252970
4-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxy-2-nitrobenzaldehyde
CID 129012683
6-(4-formyl-2-methoxy-5-nitrophenoxy)hexyl acetate
CID 18008793
5-methoxy-2-nitro-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 43311615
2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane
CID 65162791
4-[5-(4-formyl-5-nitro-2-phenylmethoxyphenoxy)pentoxy]-5-methoxy-2-nitrobenzaldehyde
CID 90421178

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde?
The IUPAC name of 5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde (CID 65161326) is 5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde.
What is the SMILES notation for 5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde?
The canonical SMILES for 5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde is COc1cc(C=O)c([N+](=O)[O-])cc1OCCC1CCCO1.
What is the InChIKey of 5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde?
The InChIKey is QEPGJXMXKOJUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-19-13-7-10(9-16)12(15(17)18)8-14(13)21-6-4-11-3-2-5-20-11/h7-9,11H,2-6H2,1H3.
What are the key properties of 5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde?
5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde has a molecular weight of 295.29 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-nitro-4-[2-(oxolan-2-yl)ethoxy]benzaldehyde is sourced from PubChem (CID 65161326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).