4-(1-hydrazinylethyl)-3-methylphenol

C9H14N2O — CID 53402333

IUPAC4-(1-hydrazinylethyl)-3-methylphenol
SMILESCc1cc(O)ccc1C(C)NN
InChIInChI=1S/C9H14N2O/c1-6-5-8(12)3-4-9(6)7(2)11-10/h3-5,7,11-12H,10H2,1-2H3
InChIKeyYHSWPHSCLKNKCI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.22
Rot. Bonds2

About 4-(1-hydrazinylethyl)-3-methylphenol

4-(1-hydrazinylethyl)-3-methylphenol (PubChem CID 53402333) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(1-hydrazinylethyl)-3-methylphenol.

Molecular Properties

Compound Name4-(1-hydrazinylethyl)-3-methylphenol
PubChem CID53402333
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-(1-hydrazinylethyl)-3-methylphenol
SMILESCc1cc(O)ccc1C(C)NN
InChIInChI=1S/C9H14N2O/c1-6-5-8(12)3-4-9(6)7(2)11-10/h3-5,7,11-12H,10H2,1-2H3
InChIKeyYHSWPHSCLKNKCI-UHFFFAOYSA-N
XLogP1.22
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1-hydrazinylethyl)-3-methylphenol 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-(1-hydrazinylethyl)benzene-1,3-diol
CID 53402211
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
methyl 2-(4-hydroxy-2-methylphenyl)propanoate
CID 131289275
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
[(1S)-1-(2,4,5-trimethylphenyl)ethyl]hydrazine
CID 96656268
4-butan-2-yl-3-methylphenol
CID 21413615
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
4-(1-iodopropan-2-yl)-3-methylphenol
CID 122668073
4-[chloro(methylsulfanyl)methyl]-3-methylphenol
CID 90471845
4-[(1R)-1-aminopentyl]-3-methylphenol
CID 55253511
4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol
CID 60924783
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydrazinylethyl)-3-methylphenol?
The IUPAC name of 4-(1-hydrazinylethyl)-3-methylphenol (CID 53402333) is 4-(1-hydrazinylethyl)-3-methylphenol.
What is the SMILES notation for 4-(1-hydrazinylethyl)-3-methylphenol?
The canonical SMILES for 4-(1-hydrazinylethyl)-3-methylphenol is Cc1cc(O)ccc1C(C)NN.
What is the InChIKey of 4-(1-hydrazinylethyl)-3-methylphenol?
The InChIKey is YHSWPHSCLKNKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-5-8(12)3-4-9(6)7(2)11-10/h3-5,7,11-12H,10H2,1-2H3.
What are the key properties of 4-(1-hydrazinylethyl)-3-methylphenol?
4-(1-hydrazinylethyl)-3-methylphenol has a molecular weight of 166.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydrazinylethyl)-3-methylphenol is sourced from PubChem (CID 53402333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).