4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol

C16H16FNO — CID 3535730

IUPAC4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol
SMILESCc1cc(/N=C/c2cc(C)c(O)c(C)c2)ccc1F
InChIInChI=1S/C16H16FNO/c1-10-8-14(4-5-15(10)17)18-9-13-6-11(2)16(19)12(3)7-13/h4-9,19H,1-3H3/b18-9+
InChIKeyMATOUHRBEUYPRR-GIJQJNRQSA-N
MW257.31 g/mol
LogP4.21
Rot. Bonds2

About 4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol

4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol (PubChem CID 3535730) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol
PubChem CID3535730
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol
SMILESCc1cc(/N=C/c2cc(C)c(O)c(C)c2)ccc1F
InChIInChI=1S/C16H16FNO/c1-10-8-14(4-5-15(10)17)18-9-13-6-11(2)16(19)12(3)7-13/h4-9,19H,1-3H3/b18-9+
InChIKeyMATOUHRBEUYPRR-GIJQJNRQSA-N
XLogP4.21
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.21
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-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol (CID 3535730) is 4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol is Cc1cc(/N=C/c2cc(C)c(O)c(C)c2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol?
The InChIKey is MATOUHRBEUYPRR-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10-8-14(4-5-15(10)17)18-9-13-6-11(2)16(19)12(3)7-13/h4-9,19H,1-3H3/b18-9+.
What are the key properties of 4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol?
4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol has a molecular weight of 257.31 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol is sourced from PubChem (CID 3535730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).