2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol

C14H11F2NO2 — CID 135657433

IUPAC2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2cc(F)cc(F)c2)c1O
InChIInChI=1S/C14H11F2NO2/c1-19-13-4-2-3-9(14(13)18)8-17-12-6-10(15)5-11(16)7-12/h2-8,18H,1H3/b17-8+
InChIKeyLNFYJKOATIXNMU-CAOOACKPSA-N
MW263.24 g/mol
LogP3.43
Rot. Bonds3

About 2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol

2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol (PubChem CID 135657433) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
PubChem CID135657433
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2cc(F)cc(F)c2)c1O
InChIInChI=1S/C14H11F2NO2/c1-19-13-4-2-3-9(14(13)18)8-17-12-6-10(15)5-11(16)7-12/h2-8,18H,1H3/b17-8+
InChIKeyLNFYJKOATIXNMU-CAOOACKPSA-N
XLogP3.43
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.43
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

2-[(4-fluoro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135596113
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
CID 136702059
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274
2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
CID 135424005
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276
2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol
CID 135596048

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol (CID 135657433) is 2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol is COc1cccc(/C=N/c2cc(F)cc(F)c2)c1O.
What is the InChIKey of 2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is LNFYJKOATIXNMU-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-19-13-4-2-3-9(14(13)18)8-17-12-6-10(15)5-11(16)7-12/h2-8,18H,1H3/b17-8+.
What are the key properties of 2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol?
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 263.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135657433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).