4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol

C13H13NO2S — CID 135595928

IUPAC4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol
SMILESCOc1ccc(O)c(/C=N/Cc2cccs2)c1
InChIInChI=1S/C13H13NO2S/c1-16-11-4-5-13(15)10(7-11)8-14-9-12-3-2-6-17-12/h2-8,15H,9H2,1H3/b14-8+
InChIKeyIOOFQYYUULBYRD-RIYZIHGNSA-N
MW247.32 g/mol
LogP3.08
Rot. Bonds4

About 4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol

4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol (PubChem CID 135595928) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol.

Molecular Properties

Compound Name4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol
PubChem CID135595928
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol
SMILESCOc1ccc(O)c(/C=N/Cc2cccs2)c1
InChIInChI=1S/C13H13NO2S/c1-16-11-4-5-13(15)10(7-11)8-14-9-12-3-2-6-17-12/h2-8,15H,9H2,1H3/b14-8+
InChIKeyIOOFQYYUULBYRD-RIYZIHGNSA-N
XLogP3.08
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol?
The IUPAC name of 4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol (CID 135595928) is 4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol.
What is the SMILES notation for 4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol?
The canonical SMILES for 4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol is COc1ccc(O)c(/C=N/Cc2cccs2)c1.
What is the InChIKey of 4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol?
The InChIKey is IOOFQYYUULBYRD-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-16-11-4-5-13(15)10(7-11)8-14-9-12-3-2-6-17-12/h2-8,15H,9H2,1H3/b14-8+.
What are the key properties of 4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol?
4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol has a molecular weight of 247.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(thiophen-2-ylmethyliminomethyl)phenol is sourced from PubChem (CID 135595928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).