2-[(E)-hydroxyiminomethyl]-4-nonylphenol

C16H25NO2 — CID 135478032

IUPAC2-[(E)-hydroxyiminomethyl]-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(/C=N/O)c1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-14-10-11-16(18)15(12-14)13-17-19/h10-13,18-19H,2-9H2,1H3/b17-13+
InChIKeyMJUVQSGLWOGIOB-GHRIWEEISA-N
MW263.38 g/mol
LogP4.49
Rot. Bonds9

About 2-[(E)-hydroxyiminomethyl]-4-nonylphenol

2-[(E)-hydroxyiminomethyl]-4-nonylphenol (PubChem CID 135478032) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-4-nonylphenol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-4-nonylphenol
PubChem CID135478032
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(E)-hydroxyiminomethyl]-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(/C=N/O)c1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-14-10-11-16(18)15(12-14)13-17-19/h10-13,18-19H,2-9H2,1H3/b17-13+
InChIKeyMJUVQSGLWOGIOB-GHRIWEEISA-N
XLogP4.49
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-hydroxyiminomethyl]-4-nonylphenol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-4-nonylphenol (CID 135478032) is 2-[(E)-hydroxyiminomethyl]-4-nonylphenol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-4-nonylphenol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-4-nonylphenol is CCCCCCCCCc1ccc(O)c(/C=N/O)c1.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-4-nonylphenol?
The InChIKey is MJUVQSGLWOGIOB-GHRIWEEISA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-14-10-11-16(18)15(12-14)13-17-19/h10-13,18-19H,2-9H2,1H3/b17-13+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-4-nonylphenol?
2-[(E)-hydroxyiminomethyl]-4-nonylphenol has a molecular weight of 263.38 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]-4-nonylphenol is sourced from PubChem (CID 135478032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).