2-(octyliminomethyl)-4-thiophen-2-ylphenol

C19H25NOS — CID 136714944

IUPAC2-(octyliminomethyl)-4-thiophen-2-ylphenol
SMILESCCCCCCCC/N=C/c1cc(-c2cccs2)ccc1O
InChIInChI=1S/C19H25NOS/c1-2-3-4-5-6-7-12-20-15-17-14-16(10-11-18(17)21)19-9-8-13-22-19/h8-11,13-15,21H,2-7,12H2,1H3/b20-15+
InChIKeyZIWWNUSPIDASKI-HMMYKYKNSA-N
MW315.48 g/mol
LogP5.90
Rot. Bonds9

About 2-(octyliminomethyl)-4-thiophen-2-ylphenol

2-(octyliminomethyl)-4-thiophen-2-ylphenol (PubChem CID 136714944) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 2-(octyliminomethyl)-4-thiophen-2-ylphenol.

Molecular Properties

Compound Name2-(octyliminomethyl)-4-thiophen-2-ylphenol
PubChem CID136714944
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name2-(octyliminomethyl)-4-thiophen-2-ylphenol
SMILESCCCCCCCC/N=C/c1cc(-c2cccs2)ccc1O
InChIInChI=1S/C19H25NOS/c1-2-3-4-5-6-7-12-20-15-17-14-16(10-11-18(17)21)19-9-8-13-22-19/h8-11,13-15,21H,2-7,12H2,1H3/b20-15+
InChIKeyZIWWNUSPIDASKI-HMMYKYKNSA-N
XLogP5.90
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.48
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(pentyliminomethyl)phenol
CID 144549323
2-[2-[(2-hydroxy-5-icosylphenyl)methylideneamino]ethyliminomethyl]-4-icosylphenol
CID 136835691
4-nitro-2-(octadecyliminomethyl)phenol
CID 4097275
2-(heptyliminomethyl)-4-nitrophenol
CID 4512182
4-(octadecyliminomethyl)benzene-1,3-diol
CID 135714970
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
2-[2-[(2-hydroxy-5-icosoxyphenyl)methylideneamino]ethyliminomethyl]-4-icosoxyphenol
CID 136723269
hexyl 3-[4-[(5-hexoxycarbonyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]-4-hydroxybenzoate
CID 136777660
4-(9,9-dioctylfluoren-2-yl)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 137081709
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
butyl 3-[4-[(5-butoxycarbonyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]-4-hydroxybenzoate
CID 136778125

Frequently Asked Questions

What is the IUPAC name of 2-(octyliminomethyl)-4-thiophen-2-ylphenol?
The IUPAC name of 2-(octyliminomethyl)-4-thiophen-2-ylphenol (CID 136714944) is 2-(octyliminomethyl)-4-thiophen-2-ylphenol.
What is the SMILES notation for 2-(octyliminomethyl)-4-thiophen-2-ylphenol?
The canonical SMILES for 2-(octyliminomethyl)-4-thiophen-2-ylphenol is CCCCCCCC/N=C/c1cc(-c2cccs2)ccc1O.
What is the InChIKey of 2-(octyliminomethyl)-4-thiophen-2-ylphenol?
The InChIKey is ZIWWNUSPIDASKI-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H25NOS/c1-2-3-4-5-6-7-12-20-15-17-14-16(10-11-18(17)21)19-9-8-13-22-19/h8-11,13-15,21H,2-7,12H2,1H3/b20-15+.
What are the key properties of 2-(octyliminomethyl)-4-thiophen-2-ylphenol?
2-(octyliminomethyl)-4-thiophen-2-ylphenol has a molecular weight of 315.48 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octyliminomethyl)-4-thiophen-2-ylphenol is sourced from PubChem (CID 136714944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).