4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol

C11H15NO2 — CID 135476806

IUPAC4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol
SMILESCC(C)(C)c1ccc(O)c(/C=N\O)c1
InChIInChI=1S/C11H15NO2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12-14/h4-7,13-14H,1-3H3/b12-7-
InChIKeyJPVAJIHITBSSAM-GHXNOFRVSA-N
MW193.25 g/mol
LogP2.50
Rot. Bonds1

About 4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol

4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol (PubChem CID 135476806) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol
PubChem CID135476806
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol
SMILESCC(C)(C)c1ccc(O)c(/C=N\O)c1
InChIInChI=1S/C11H15NO2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12-14/h4-7,13-14H,1-3H3/b12-7-
InChIKeyJPVAJIHITBSSAM-GHXNOFRVSA-N
XLogP2.50
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[(Z)-hydroxyiminomethyl]phenol?
The IUPAC name of 4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol (CID 135476806) is 4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol is CC(C)(C)c1ccc(O)c(/C=N\O)c1.
What is the InChIKey of 4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol?
The InChIKey is JPVAJIHITBSSAM-GHXNOFRVSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12-14/h4-7,13-14H,1-3H3/b12-7-.
What are the key properties of 4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol?
4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol has a molecular weight of 193.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(Z)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 135476806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).