2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol

C15H15NO2 — CID 3353937

IUPAC2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol
SMILESCc1ccc(O)c(C(Cc2ccccc2)=NO)c1
InChIInChI=1S/C15H15NO2/c1-11-7-8-15(17)13(9-11)14(16-18)10-12-5-3-2-4-6-12/h2-9,17-18H,10H2,1H3
InChIKeyKMSTZHDPGZSQNA-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.12
Rot. Bonds3

About 2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol

2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol (PubChem CID 3353937) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol.

Molecular Properties

Compound Name2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol
PubChem CID3353937
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol
SMILESCc1ccc(O)c(C(Cc2ccccc2)=NO)c1
InChIInChI=1S/C15H15NO2/c1-11-7-8-15(17)13(9-11)14(16-18)10-12-5-3-2-4-6-12/h2-9,17-18H,10H2,1H3
InChIKeyKMSTZHDPGZSQNA-UHFFFAOYSA-N
XLogP3.12
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.12
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-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol?
The IUPAC name of 2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol (CID 3353937) is 2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol.
What is the SMILES notation for 2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol?
The canonical SMILES for 2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol is Cc1ccc(O)c(C(Cc2ccccc2)=NO)c1.
What is the InChIKey of 2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol?
The InChIKey is KMSTZHDPGZSQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-7-8-15(17)13(9-11)14(16-18)10-12-5-3-2-4-6-12/h2-9,17-18H,10H2,1H3.
What are the key properties of 2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol?
2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol has a molecular weight of 241.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol is sourced from PubChem (CID 3353937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).