2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol

C15H15NO3 — CID 136961606

IUPAC2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol
SMILESCOc1ccc(-c2ccc(O)c(/C(C)=N/O)c2)cc1
InChIInChI=1S/C15H15NO3/c1-10(16-18)14-9-12(5-8-15(14)17)11-3-6-13(19-2)7-4-11/h3-9,17-18H,1-2H3/b16-10+
InChIKeySNZLNCHQFMAKCX-MHWRWJLKSA-N
MW257.29 g/mol
LogP3.27
Rot. Bonds3

About 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol

2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol (PubChem CID 136961606) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol.

Molecular Properties

Compound Name2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol
PubChem CID136961606
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol
SMILESCOc1ccc(-c2ccc(O)c(/C(C)=N/O)c2)cc1
InChIInChI=1S/C15H15NO3/c1-10(16-18)14-9-12(5-8-15(14)17)11-3-6-13(19-2)7-4-11/h3-9,17-18H,1-2H3/b16-10+
InChIKeySNZLNCHQFMAKCX-MHWRWJLKSA-N
XLogP3.27
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol?
The IUPAC name of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol (CID 136961606) is 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol.
What is the SMILES notation for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol?
The canonical SMILES for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol is COc1ccc(-c2ccc(O)c(/C(C)=N/O)c2)cc1.
What is the InChIKey of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol?
The InChIKey is SNZLNCHQFMAKCX-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(16-18)14-9-12(5-8-15(14)17)11-3-6-13(19-2)7-4-11/h3-9,17-18H,1-2H3/b16-10+.
What are the key properties of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol?
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol has a molecular weight of 257.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol is sourced from PubChem (CID 136961606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).