2-[(2,4,6-trimethylphenyl)iminomethyl]phenol

C16H17NO — CID 3685651

IUPAC2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
SMILESCc1cc(C)c(/N=C/c2ccccc2O)c(C)c1
InChIInChI=1S/C16H17NO/c1-11-8-12(2)16(13(3)9-11)17-10-14-6-4-5-7-15(14)18/h4-10,18H,1-3H3/b17-10+
InChIKeyGFXUGLRIJLPSQR-LICLKQGHSA-N
MW239.32 g/mol
LogP4.07
Rot. Bonds2

About 2-[(2,4,6-trimethylphenyl)iminomethyl]phenol

2-[(2,4,6-trimethylphenyl)iminomethyl]phenol (PubChem CID 3685651) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(2,4,6-trimethylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
PubChem CID3685651
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
SMILESCc1cc(C)c(/N=C/c2ccccc2O)c(C)c1
InChIInChI=1S/C16H17NO/c1-11-8-12(2)16(13(3)9-11)17-10-14-6-4-5-7-15(14)18/h4-10,18H,1-3H3/b17-10+
InChIKeyGFXUGLRIJLPSQR-LICLKQGHSA-N
XLogP4.07
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.07
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 2-[(2,4,6-trimethylphenyl)iminomethyl]phenol?
The IUPAC name of 2-[(2,4,6-trimethylphenyl)iminomethyl]phenol (CID 3685651) is 2-[(2,4,6-trimethylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(2,4,6-trimethylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-[(2,4,6-trimethylphenyl)iminomethyl]phenol is Cc1cc(C)c(/N=C/c2ccccc2O)c(C)c1.
What is the InChIKey of 2-[(2,4,6-trimethylphenyl)iminomethyl]phenol?
The InChIKey is GFXUGLRIJLPSQR-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-8-12(2)16(13(3)9-11)17-10-14-6-4-5-7-15(14)18/h4-10,18H,1-3H3/b17-10+.
What are the key properties of 2-[(2,4,6-trimethylphenyl)iminomethyl]phenol?
2-[(2,4,6-trimethylphenyl)iminomethyl]phenol has a molecular weight of 239.32 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethylphenyl)iminomethyl]phenol is sourced from PubChem (CID 3685651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).