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

C15H12F3NO3 — CID 769823

IUPAC2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
SMILESCOc1cc(/C=N/c2ccc(OC(F)(F)F)cc2)ccc1O
InChIInChI=1S/C15H12F3NO3/c1-21-14-8-10(2-7-13(14)20)9-19-11-3-5-12(6-4-11)22-15(16,17)18/h2-9,20H,1H3/b19-9+
InChIKeyPSNBNALQSPRGPO-DJKKODMXSA-N
MW311.26 g/mol
LogP4.05
Rot. Bonds4

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

2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol (PubChem CID 769823) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
PubChem CID769823
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
SMILESCOc1cc(/C=N/c2ccc(OC(F)(F)F)cc2)ccc1O
InChIInChI=1S/C15H12F3NO3/c1-21-14-8-10(2-7-13(14)20)9-19-11-3-5-12(6-4-11)22-15(16,17)18/h2-9,20H,1H3/b19-9+
InChIKeyPSNBNALQSPRGPO-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

4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine
CID 139088925
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801
4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol
CID 681301
4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 162659279
2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol
CID 3284679
4-[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]anilino]-4-oxobutanoic acid
CID 135813467
2-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenol
CID 135745745
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 964993
2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 5155606
4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 620472

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol (CID 769823) is 2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol is COc1cc(/C=N/c2ccc(OC(F)(F)F)cc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The InChIKey is PSNBNALQSPRGPO-DJKKODMXSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-21-14-8-10(2-7-13(14)20)9-19-11-3-5-12(6-4-11)22-15(16,17)18/h2-9,20H,1H3/b19-9+.
What are the key properties of 2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
2-methoxy-4-[[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-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol is sourced from PubChem (CID 769823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).