2-(2-iminopropoxy)-3-methoxybenzaldehyde

C11H13NO3 — CID 134433830

IUPAC2-(2-iminopropoxy)-3-methoxybenzaldehyde
SMILES[H]/N=C(\C)COc1c(C=O)cccc1OC
InChIInChI=1S/C11H13NO3/c1-8(12)7-15-11-9(6-13)4-3-5-10(11)14-2/h3-6,12H,7H2,1-2H3/b12-8+
InChIKeySLFGHIBWUWHZLV-XYOKQWHBSA-N
MW207.23 g/mol
LogP1.93
Rot. Bonds5

About 2-(2-iminopropoxy)-3-methoxybenzaldehyde

2-(2-iminopropoxy)-3-methoxybenzaldehyde (PubChem CID 134433830) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2-iminopropoxy)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-iminopropoxy)-3-methoxybenzaldehyde
PubChem CID134433830
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(2-iminopropoxy)-3-methoxybenzaldehyde
SMILES[H]/N=C(\C)COc1c(C=O)cccc1OC
InChIInChI=1S/C11H13NO3/c1-8(12)7-15-11-9(6-13)4-3-5-10(11)14-2/h3-6,12H,7H2,1-2H3/b12-8+
InChIKeySLFGHIBWUWHZLV-XYOKQWHBSA-N
XLogP1.93
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2-iminopropoxy)-3-methoxybenzaldehyde 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

2-(2-formyl-6-methoxyphenoxy)-N-hydrazinylideneethanimidamide
CID 142322523
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde
CID 82850307
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
2-buta-2,3-dienoxy-3-methoxybenzaldehyde
CID 25034027
2-(2-formyl-6-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 61489932
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194

Frequently Asked Questions

What is the IUPAC name of 2-(2-iminopropoxy)-3-methoxybenzaldehyde?
The IUPAC name of 2-(2-iminopropoxy)-3-methoxybenzaldehyde (CID 134433830) is 2-(2-iminopropoxy)-3-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-iminopropoxy)-3-methoxybenzaldehyde?
The canonical SMILES for 2-(2-iminopropoxy)-3-methoxybenzaldehyde is [H]/N=C(\C)COc1c(C=O)cccc1OC.
What is the InChIKey of 2-(2-iminopropoxy)-3-methoxybenzaldehyde?
The InChIKey is SLFGHIBWUWHZLV-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(12)7-15-11-9(6-13)4-3-5-10(11)14-2/h3-6,12H,7H2,1-2H3/b12-8+.
What are the key properties of 2-(2-iminopropoxy)-3-methoxybenzaldehyde?
2-(2-iminopropoxy)-3-methoxybenzaldehyde has a molecular weight of 207.23 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminopropoxy)-3-methoxybenzaldehyde is sourced from PubChem (CID 134433830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).