2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde

C9H11NO2 — CID 87795726

IUPAC2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde
SMILESCc1c(N)ccc(CC=O)c1O
InChIInChI=1S/C9H11NO2/c1-6-8(10)3-2-7(4-5-11)9(6)12/h2-3,5,12H,4,10H2,1H3
InChIKeyDBGZHNQJJZERFO-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.02
Rot. Bonds2

About 2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde

2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde (PubChem CID 87795726) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde
PubChem CID87795726
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde
SMILESCc1c(N)ccc(CC=O)c1O
InChIInChI=1S/C9H11NO2/c1-6-8(10)3-2-7(4-5-11)9(6)12/h2-3,5,12H,4,10H2,1H3
InChIKeyDBGZHNQJJZERFO-UHFFFAOYSA-N
XLogP1.02
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde?
The IUPAC name of 2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde (CID 87795726) is 2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde?
The canonical SMILES for 2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde is Cc1c(N)ccc(CC=O)c1O.
What is the InChIKey of 2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde?
The InChIKey is DBGZHNQJJZERFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-8(10)3-2-7(4-5-11)9(6)12/h2-3,5,12H,4,10H2,1H3.
What are the key properties of 2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde?
2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde has a molecular weight of 165.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-hydroxy-3-methylphenyl)acetaldehyde is sourced from PubChem (CID 87795726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).