2-methoxy-4-(2-phenylethyliminomethyl)phenol

C16H17NO2 — CID 2179775

IUPAC2-methoxy-4-(2-phenylethyliminomethyl)phenol
SMILESCOc1cc(/C=N/CCc2ccccc2)ccc1O
InChIInChI=1S/C16H17NO2/c1-19-16-11-14(7-8-15(16)18)12-17-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3/b17-12+
InChIKeyVLYKPQQFFJZELT-SFQUDFHCSA-N
MW255.32 g/mol
LogP3.06
Rot. Bonds5

About 2-methoxy-4-(2-phenylethyliminomethyl)phenol

2-methoxy-4-(2-phenylethyliminomethyl)phenol (PubChem CID 2179775) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methoxy-4-(2-phenylethyliminomethyl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(2-phenylethyliminomethyl)phenol
PubChem CID2179775
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-methoxy-4-(2-phenylethyliminomethyl)phenol
SMILESCOc1cc(/C=N/CCc2ccccc2)ccc1O
InChIInChI=1S/C16H17NO2/c1-19-16-11-14(7-8-15(16)18)12-17-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3/b17-12+
InChIKeyVLYKPQQFFJZELT-SFQUDFHCSA-N
XLogP3.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methoxy-4-(2-phenylethyliminomethyl)phenol?
The IUPAC name of 2-methoxy-4-(2-phenylethyliminomethyl)phenol (CID 2179775) is 2-methoxy-4-(2-phenylethyliminomethyl)phenol.
What is the SMILES notation for 2-methoxy-4-(2-phenylethyliminomethyl)phenol?
The canonical SMILES for 2-methoxy-4-(2-phenylethyliminomethyl)phenol is COc1cc(/C=N/CCc2ccccc2)ccc1O.
What is the InChIKey of 2-methoxy-4-(2-phenylethyliminomethyl)phenol?
The InChIKey is VLYKPQQFFJZELT-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-16-11-14(7-8-15(16)18)12-17-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3/b17-12+.
What are the key properties of 2-methoxy-4-(2-phenylethyliminomethyl)phenol?
2-methoxy-4-(2-phenylethyliminomethyl)phenol has a molecular weight of 255.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-phenylethyliminomethyl)phenol is sourced from PubChem (CID 2179775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).