2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol

C19H31NO2 — CID 135699310

IUPAC2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol
SMILESCCCCCCCCCCC/C(=N\O)c1ccc(C)cc1O
InChIInChI=1S/C19H31NO2/c1-3-4-5-6-7-8-9-10-11-12-18(20-22)17-14-13-16(2)15-19(17)21/h13-15,21-22H,3-12H2,1-2H3/b20-18+
InChIKeyDJRCMVCFUPOPKC-CZIZESTLSA-N
MW305.46 g/mol
LogP5.80
Rot. Bonds11

About 2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol

2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol (PubChem CID 135699310) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol.

Molecular Properties

Compound Name2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol
PubChem CID135699310
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol
SMILESCCCCCCCCCCC/C(=N\O)c1ccc(C)cc1O
InChIInChI=1S/C19H31NO2/c1-3-4-5-6-7-8-9-10-11-12-18(20-22)17-14-13-16(2)15-19(17)21/h13-15,21-22H,3-12H2,1-2H3/b20-18+
InChIKeyDJRCMVCFUPOPKC-CZIZESTLSA-N
XLogP5.80
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.80
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'}

Analyze 2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol?
The IUPAC name of 2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol (CID 135699310) is 2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol.
What is the SMILES notation for 2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol?
The canonical SMILES for 2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol is CCCCCCCCCCC/C(=N\O)c1ccc(C)cc1O.
What is the InChIKey of 2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol?
The InChIKey is DJRCMVCFUPOPKC-CZIZESTLSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-4-5-6-7-8-9-10-11-12-18(20-22)17-14-13-16(2)15-19(17)21/h13-15,21-22H,3-12H2,1-2H3/b20-18+.
What are the key properties of 2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol?
2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol has a molecular weight of 305.46 g/mol, XLogP of 5.80, 11 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-undecylcarbonimidoyl]-5-methylphenol is sourced from PubChem (CID 135699310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).