4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride

C12H20ClNO2 — CID 20553836

IUPAC4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride
SMILESCc1cc(C(C)(C)C)cc(CNO)c1O.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-8-5-10(12(2,3)4)6-9(7-13-15)11(8)14;/h5-6,13-15H,7H2,1-4H3;1H
InChIKeyWUBMJEBQMZVWLK-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.90
Rot. Bonds2

About 4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride

4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride (PubChem CID 20553836) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride
PubChem CID20553836
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride
SMILESCc1cc(C(C)(C)C)cc(CNO)c1O.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-8-5-10(12(2,3)4)6-9(7-13-15)11(8)14;/h5-6,13-15H,7H2,1-4H3;1H
InChIKeyWUBMJEBQMZVWLK-UHFFFAOYSA-N
XLogP2.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride 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-tert-butyl-2-[(hydroxyamino)methyl]phenol
CID 117285539
4-tert-butyl-2-(5-hydroxypentyl)-6-methylphenol
CID 21199833
2,6-bis[(benzylamino)methyl]-4-tert-butylphenol;dihydrochloride
CID 131884560
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol
CID 139625941
5-tert-butyl-3-[(methoxyamino)methyl]benzene-1,2-diol
CID 117323974
4-tert-butyl-2-[[[3-[[5-tert-butyl-3-(ethylaminomethyl)-2-hydroxyphenyl]methylamino]-2,2-dimethylpropyl]amino]methyl]-6-(ethylaminomethyl)phenol
CID 138465302
4-tert-butyl-2-[[(5-tert-butyl-2-hydroxy-3-methylphenyl)methyl-(4-hydroxybutyl)amino]methyl]-6-methylphenol
CID 102157123
4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol
CID 145345584
6-[(hydroxyamino)methyl]-2,3-dimethylphenol
CID 117276536
4-tert-butyl-2-[[(5-tert-butyl-2-hydroxy-3-methylphenyl)methyl-(5-hydroxypentyl)amino]methyl]-6-methylphenol
CID 102157126
2,6-bis[(hydroxyamino)methyl]-4-propylphenol
CID 174667863
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride?
The IUPAC name of 4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride (CID 20553836) is 4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride.
What is the SMILES notation for 4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride?
The canonical SMILES for 4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride is Cc1cc(C(C)(C)C)cc(CNO)c1O.Cl.
What is the InChIKey of 4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride?
The InChIKey is WUBMJEBQMZVWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-8-5-10(12(2,3)4)6-9(7-13-15)11(8)14;/h5-6,13-15H,7H2,1-4H3;1H.
What are the key properties of 4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride?
4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride is sourced from PubChem (CID 20553836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).