4-methyl-2-(phenyliminomethyl)phenol

C14H13NO — CID 641196

IUPAC4-methyl-2-(phenyliminomethyl)phenol
SMILESCc1ccc(O)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C14H13NO/c1-11-7-8-14(16)12(9-11)10-15-13-5-3-2-4-6-13/h2-10,16H,1H3/b15-10+
InChIKeyYBIZNXYXKSNNCC-XNTDXEJSSA-N
MW211.26 g/mol
LogP3.45
Rot. Bonds2

About 4-methyl-2-(phenyliminomethyl)phenol

4-methyl-2-(phenyliminomethyl)phenol (PubChem CID 641196) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-methyl-2-(phenyliminomethyl)phenol.

Molecular Properties

Compound Name4-methyl-2-(phenyliminomethyl)phenol
PubChem CID641196
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name4-methyl-2-(phenyliminomethyl)phenol
SMILESCc1ccc(O)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C14H13NO/c1-11-7-8-14(16)12(9-11)10-15-13-5-3-2-4-6-13/h2-10,16H,1H3/b15-10+
InChIKeyYBIZNXYXKSNNCC-XNTDXEJSSA-N
XLogP3.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(phenyliminomethyl)phenol?
The IUPAC name of 4-methyl-2-(phenyliminomethyl)phenol (CID 641196) is 4-methyl-2-(phenyliminomethyl)phenol.
What is the SMILES notation for 4-methyl-2-(phenyliminomethyl)phenol?
The canonical SMILES for 4-methyl-2-(phenyliminomethyl)phenol is Cc1ccc(O)c(/C=N/c2ccccc2)c1.
What is the InChIKey of 4-methyl-2-(phenyliminomethyl)phenol?
The InChIKey is YBIZNXYXKSNNCC-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H13NO/c1-11-7-8-14(16)12(9-11)10-15-13-5-3-2-4-6-13/h2-10,16H,1H3/b15-10+.
What are the key properties of 4-methyl-2-(phenyliminomethyl)phenol?
4-methyl-2-(phenyliminomethyl)phenol has a molecular weight of 211.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(phenyliminomethyl)phenol is sourced from PubChem (CID 641196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).