2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol

C16H15F2NO2 — CID 135758500

IUPAC2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/[C@@H](C)c2ccc(F)cc2F)c1
InChIInChI=1S/C16H15F2NO2/c1-10(14-5-3-12(17)8-15(14)18)19-9-11-7-13(21-2)4-6-16(11)20/h3-10,20H,1-2H3/b19-9+/t10-/m0/s1
InChIKeyTYMIFTAPZSJNEK-XPAGJJBOSA-N
MW291.30 g/mol
LogP3.86
Rot. Bonds4

About 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol (PubChem CID 135758500) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol
PubChem CID135758500
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/[C@@H](C)c2ccc(F)cc2F)c1
InChIInChI=1S/C16H15F2NO2/c1-10(14-5-3-12(17)8-15(14)18)19-9-11-7-13(21-2)4-6-16(11)20/h3-10,20H,1-2H3/b19-9+/t10-/m0/s1
InChIKeyTYMIFTAPZSJNEK-XPAGJJBOSA-N
XLogP3.86
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol
CID 135828952
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
CID 136861221
5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135959958
2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol
CID 135595645
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
2-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135757942
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol
CID 135750215
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
5-fluoro-2-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82978158

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol (CID 135758500) is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/[C@@H](C)c2ccc(F)cc2F)c1.
What is the InChIKey of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol?
The InChIKey is TYMIFTAPZSJNEK-XPAGJJBOSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10(14-5-3-12(17)8-15(14)18)19-9-11-7-13(21-2)4-6-16(11)20/h3-10,20H,1-2H3/b19-9+/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol?
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol has a molecular weight of 291.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]iminomethyl]-4-methoxyphenol is sourced from PubChem (CID 135758500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).