2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol

C14H13NO2 — CID 135699305

IUPAC2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol
SMILESCc1ccc(O)c(/C(=N/O)c2ccccc2)c1
InChIInChI=1S/C14H13NO2/c1-10-7-8-13(16)12(9-10)14(15-17)11-5-3-2-4-6-11/h2-9,16-17H,1H3/b15-14+
InChIKeyOFNQACPWWOTIFY-CCEZHUSRSA-N
MW227.26 g/mol
LogP2.93
Rot. Bonds2

About 2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol

2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol (PubChem CID 135699305) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol
PubChem CID135699305
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol
SMILESCc1ccc(O)c(/C(=N/O)c2ccccc2)c1
InChIInChI=1S/C14H13NO2/c1-10-7-8-13(16)12(9-10)14(15-17)11-5-3-2-4-6-11/h2-9,16-17H,1H3/b15-14+
InChIKeyOFNQACPWWOTIFY-CCEZHUSRSA-N
XLogP2.93
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.93
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-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol?
The IUPAC name of 2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol (CID 135699305) is 2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol.
What is the SMILES notation for 2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol?
The canonical SMILES for 2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol is Cc1ccc(O)c(/C(=N/O)c2ccccc2)c1.
What is the InChIKey of 2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol?
The InChIKey is OFNQACPWWOTIFY-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-7-8-13(16)12(9-10)14(15-17)11-5-3-2-4-6-11/h2-9,16-17H,1H3/b15-14+.
What are the key properties of 2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol?
2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol has a molecular weight of 227.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol is sourced from PubChem (CID 135699305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).