2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol

C17H17F2NO3 — CID 135818049

IUPAC2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCc2ccc(OC(F)F)cc2)c1O
InChIInChI=1S/C17H17F2NO3/c1-22-15-4-2-3-13(16(15)21)11-20-10-9-12-5-7-14(8-6-12)23-17(18)19/h2-8,11,17,21H,9-10H2,1H3/b20-11+
InChIKeyZGKPPJYIWHKZGI-RGVLZGJSSA-N
MW321.32 g/mol
LogP3.66
Rot. Bonds7

About 2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol

2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol (PubChem CID 135818049) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol
PubChem CID135818049
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCc2ccc(OC(F)F)cc2)c1O
InChIInChI=1S/C17H17F2NO3/c1-22-15-4-2-3-13(16(15)21)11-20-10-9-12-5-7-14(8-6-12)23-17(18)19/h2-8,11,17,21H,9-10H2,1H3/b20-11+
InChIKeyZGKPPJYIWHKZGI-RGVLZGJSSA-N
XLogP3.66
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
CID 135855450
2-[2-(4-chlorophenoxy)ethyliminomethyl]-6-methoxyphenol
CID 135817980
2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol
CID 135829051
2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135595556
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol (CID 135818049) is 2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol is COc1cccc(/C=N/CCc2ccc(OC(F)F)cc2)c1O.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol?
The InChIKey is ZGKPPJYIWHKZGI-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-22-15-4-2-3-13(16(15)21)11-20-10-9-12-5-7-14(8-6-12)23-17(18)19/h2-8,11,17,21H,9-10H2,1H3/b20-11+.
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol?
2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol has a molecular weight of 321.32 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135818049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).