2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol

C16H25NO2 — CID 135476867

IUPAC2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-10(17-19)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18-19H,1-7H3/b17-10-
InChIKeyGZJACJBTTNRDSM-YVLHZVERSA-N
MW263.38 g/mol
LogP4.19
Rot. Bonds1

About 2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol

2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 135476867) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID135476867
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-10(17-19)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18-19H,1-7H3/b17-10-
InChIKeyGZJACJBTTNRDSM-YVLHZVERSA-N
XLogP4.19
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.19
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 2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 135476867) is 2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol is C/C(=N/O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is GZJACJBTTNRDSM-YVLHZVERSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10(17-19)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18-19H,1-7H3/b17-10-.
What are the key properties of 2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol?
2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 4.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135476867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).