4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde

C10H11NO6 — CID 12700191

IUPAC4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde
SMILESCCOc1cc(O)c(C=O)c(OC)c1[N+](=O)[O-]
InChIInChI=1S/C10H11NO6/c1-3-17-8-4-7(13)6(5-12)10(16-2)9(8)11(14)15/h4-5,13H,3H2,1-2H3
InChIKeyBLGGZORQKZJPTM-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.52
Rot. Bonds5

About 4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde

4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde (PubChem CID 12700191) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is 4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde.

Molecular Properties

Compound Name4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde
PubChem CID12700191
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde
SMILESCCOc1cc(O)c(C=O)c(OC)c1[N+](=O)[O-]
InChIInChI=1S/C10H11NO6/c1-3-17-8-4-7(13)6(5-12)10(16-2)9(8)11(14)15/h4-5,13H,3H2,1-2H3
InChIKeyBLGGZORQKZJPTM-UHFFFAOYSA-N
XLogP1.52
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
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 4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde 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

4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde
CID 121014751
3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
CID 134891938
2,3,5-trimethoxy-6-nitrobenzaldehyde
CID 66545581
3-bromo-2-ethoxy-4,6-dihydroxybenzaldehyde
CID 134963493
2-ethoxy-4,6-dihydroxybenzaldehyde
CID 130024854
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
6-hydroxy-3-methoxy-2-nitrobenzaldehyde
CID 44614059
4-(diethylamino)-5-ethoxy-3-methoxy-2-nitrobenzaldehyde;hydrochloride
CID 87651187
4,5-diethoxy-2,3-dinitrobenzaldehyde;5-ethoxy-4-hydroxy-2,3-dinitrobenzaldehyde
CID 160927262
N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 136908103
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
CID 17311099

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde?
The IUPAC name of 4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde (CID 12700191) is 4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde.
What is the SMILES notation for 4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde?
The canonical SMILES for 4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde is CCOc1cc(O)c(C=O)c(OC)c1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde?
The InChIKey is BLGGZORQKZJPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c1-3-17-8-4-7(13)6(5-12)10(16-2)9(8)11(14)15/h4-5,13H,3H2,1-2H3.
What are the key properties of 4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde?
4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde has a molecular weight of 241.20 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde is sourced from PubChem (CID 12700191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).