2-amino-5-hydroxy-4-methoxybenzaldehyde

C8H9NO3 — CID 123401327

IUPAC2-amino-5-hydroxy-4-methoxybenzaldehyde
SMILESCOc1cc(N)c(C=O)cc1O
InChIInChI=1S/C8H9NO3/c1-12-8-3-6(9)5(4-10)2-7(8)11/h2-4,11H,9H2,1H3
InChIKeySZHLKVXWBMDSQJ-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.80
Rot. Bonds2

About 2-amino-5-hydroxy-4-methoxybenzaldehyde

2-amino-5-hydroxy-4-methoxybenzaldehyde (PubChem CID 123401327) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-amino-5-hydroxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-amino-5-hydroxy-4-methoxybenzaldehyde
PubChem CID123401327
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-amino-5-hydroxy-4-methoxybenzaldehyde
SMILESCOc1cc(N)c(C=O)cc1O
InChIInChI=1S/C8H9NO3/c1-12-8-3-6(9)5(4-10)2-7(8)11/h2-4,11H,9H2,1H3
InChIKeySZHLKVXWBMDSQJ-UHFFFAOYSA-N
XLogP0.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-hydroxy-4-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-amino-4,5-dimethoxybenzaldehyde
CID 10888543
5-hydroxy-4-methoxy-2-sulfanylbenzaldehyde
CID 90730057
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde
CID 169464063
2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde
CID 117298714
2-amino-4-formyl-5-methoxybenzamide
CID 58768479
4-hydroxy-5-methoxy-2-nitrobenzaldehyde;5-methoxy-4-methyl-2-nitrobenzaldehyde
CID 158766673
5-amino-2-hydroxy-3-methoxybenzaldehyde
CID 155701195
5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde
CID 117300229
2-hydroxybenzaldehyde;2-methoxyaniline
CID 174410348
methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate
CID 117352583
2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
CID 178068399

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-4-methoxybenzaldehyde?
The IUPAC name of 2-amino-5-hydroxy-4-methoxybenzaldehyde (CID 123401327) is 2-amino-5-hydroxy-4-methoxybenzaldehyde.
What is the SMILES notation for 2-amino-5-hydroxy-4-methoxybenzaldehyde?
The canonical SMILES for 2-amino-5-hydroxy-4-methoxybenzaldehyde is COc1cc(N)c(C=O)cc1O.
What is the InChIKey of 2-amino-5-hydroxy-4-methoxybenzaldehyde?
The InChIKey is SZHLKVXWBMDSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-8-3-6(9)5(4-10)2-7(8)11/h2-4,11H,9H2,1H3.
What are the key properties of 2-amino-5-hydroxy-4-methoxybenzaldehyde?
2-amino-5-hydroxy-4-methoxybenzaldehyde has a molecular weight of 167.16 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-4-methoxybenzaldehyde is sourced from PubChem (CID 123401327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).