4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol

C21H16F3NO3 — CID 1248272

IUPAC4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C21H16F3NO3/c1-27-17-8-9-19(26)14(11-17)13-25-18-12-15(21(22,23)24)7-10-20(18)28-16-5-3-2-4-6-16/h2-13,26H,1H3/b25-13+
InChIKeyUDTYZECZLUQOOP-DHRITJCHSA-N
MW387.36 g/mol
LogP5.96
Rot. Bonds5

About 4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol

4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 1248272) has the molecular formula C21H16F3NO3 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID1248272
Molecular FormulaC21H16F3NO3
Molecular Weight387.36 g/mol
Exact Mass387.11
IUPAC Name4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C21H16F3NO3/c1-27-17-8-9-19(26)14(11-17)13-25-18-12-15(21(22,23)24)7-10-20(18)28-16-5-3-2-4-6-16/h2-13,26H,1H3/b25-13+
InChIKeyUDTYZECZLUQOOP-DHRITJCHSA-N
XLogP5.96
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.36
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 1248272) is 4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol is COc1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2)c1.
What is the InChIKey of 4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is UDTYZECZLUQOOP-DHRITJCHSA-N. The full InChI is InChI=1S/C21H16F3NO3/c1-27-17-8-9-19(26)14(11-17)13-25-18-12-15(21(22,23)24)7-10-20(18)28-16-5-3-2-4-6-16/h2-13,26H,1H3/b25-13+.
What are the key properties of 4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 387.36 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[2-phenoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 1248272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).