2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol

C15H12F3NO3 — CID 771801

IUPAC2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccc(OC(F)(F)F)cc2)c1O
InChIInChI=1S/C15H12F3NO3/c1-21-13-4-2-3-10(14(13)20)9-19-11-5-7-12(8-6-11)22-15(16,17)18/h2-9,20H,1H3/b19-9+
InChIKeyIQMXNIWSEGYIRA-DJKKODMXSA-N
MW311.26 g/mol
LogP4.05
Rot. Bonds4

About 2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol

2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol (PubChem CID 771801) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
PubChem CID771801
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccc(OC(F)(F)F)cc2)c1O
InChIInChI=1S/C15H12F3NO3/c1-21-13-4-2-3-10(14(13)20)9-19-11-5-7-12(8-6-11)22-15(16,17)18/h2-9,20H,1H3/b19-9+
InChIKeyIQMXNIWSEGYIRA-DJKKODMXSA-N
XLogP4.05
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.05
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-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 769823
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
CID 135424005
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
CID 136702059
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol (CID 771801) is 2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol is COc1cccc(/C=N/c2ccc(OC(F)(F)F)cc2)c1O.
What is the InChIKey of 2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The InChIKey is IQMXNIWSEGYIRA-DJKKODMXSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-21-13-4-2-3-10(14(13)20)9-19-11-5-7-12(8-6-11)22-15(16,17)18/h2-9,20H,1H3/b19-9+.
What are the key properties of 2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol has a molecular weight of 311.26 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol is sourced from PubChem (CID 771801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).