4-tert-butyl-2-[(hydroxyamino)methyl]phenol

C11H17NO2 — CID 117285539

IUPAC4-tert-butyl-2-[(hydroxyamino)methyl]phenol
SMILESCC(C)(C)c1ccc(O)c(CNO)c1
InChIInChI=1S/C11H17NO2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12-14/h4-6,12-14H,7H2,1-3H3
InChIKeyFAAAPYAPCQPGTQ-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.17
Rot. Bonds2

About 4-tert-butyl-2-[(hydroxyamino)methyl]phenol

4-tert-butyl-2-[(hydroxyamino)methyl]phenol (PubChem CID 117285539) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-tert-butyl-2-[(hydroxyamino)methyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(hydroxyamino)methyl]phenol
PubChem CID117285539
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-tert-butyl-2-[(hydroxyamino)methyl]phenol
SMILESCC(C)(C)c1ccc(O)c(CNO)c1
InChIInChI=1S/C11H17NO2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12-14/h4-6,12-14H,7H2,1-3H3
InChIKeyFAAAPYAPCQPGTQ-UHFFFAOYSA-N
XLogP2.17
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.17
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(hydroxyamino)methyl]phenol?
The IUPAC name of 4-tert-butyl-2-[(hydroxyamino)methyl]phenol (CID 117285539) is 4-tert-butyl-2-[(hydroxyamino)methyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[(hydroxyamino)methyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[(hydroxyamino)methyl]phenol is CC(C)(C)c1ccc(O)c(CNO)c1.
What is the InChIKey of 4-tert-butyl-2-[(hydroxyamino)methyl]phenol?
The InChIKey is FAAAPYAPCQPGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12-14/h4-6,12-14H,7H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[(hydroxyamino)methyl]phenol?
4-tert-butyl-2-[(hydroxyamino)methyl]phenol has a molecular weight of 195.26 g/mol, XLogP of 2.17, 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]phenol is sourced from PubChem (CID 117285539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).