4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol

C10H15NO2 — CID 51003755

IUPAC4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)cc1NO
InChIInChI=1S/C10H15NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,11-13H,1-3H3
InChIKeyUPGVAAOLNUGZAP-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.63
Rot. Bonds2

About 4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol

4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol (PubChem CID 51003755) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol
PubChem CID51003755
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)cc1NO
InChIInChI=1S/C10H15NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,11-13H,1-3H3
InChIKeyUPGVAAOLNUGZAP-UHFFFAOYSA-N
XLogP2.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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-(hydroxyamino)-5-methyl-2-propan-2-ylphenol?
The IUPAC name of 4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol (CID 51003755) is 4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol.
What is the SMILES notation for 4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol?
The canonical SMILES for 4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol is Cc1cc(O)c(C(C)C)cc1NO.
What is the InChIKey of 4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol?
The InChIKey is UPGVAAOLNUGZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,11-13H,1-3H3.
What are the key properties of 4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol?
4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol has a molecular weight of 181.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol is sourced from PubChem (CID 51003755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).