4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol

C15H12F3NO — CID 136612319

IUPAC4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCc1ccc(O)c(/C=N/c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H12F3NO/c1-10-2-7-14(20)11(8-10)9-19-13-5-3-12(4-6-13)15(16,17)18/h2-9,20H,1H3/b19-9+
InChIKeyDXWNAHZVBBEBGW-DJKKODMXSA-N
MW279.26 g/mol
LogP4.47
Rot. Bonds2

About 4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol

4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 136612319) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID136612319
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCc1ccc(O)c(/C=N/c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H12F3NO/c1-10-2-7-14(20)11(8-10)9-19-13-5-3-12(4-6-13)15(16,17)18/h2-9,20H,1H3/b19-9+
InChIKeyDXWNAHZVBBEBGW-DJKKODMXSA-N
XLogP4.47
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 136612319) is 4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol is Cc1ccc(O)c(/C=N/c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is DXWNAHZVBBEBGW-DJKKODMXSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-10-2-7-14(20)11(8-10)9-19-13-5-3-12(4-6-13)15(16,17)18/h2-9,20H,1H3/b19-9+.
What are the key properties of 4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol?
4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 279.26 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 136612319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).