methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate

C17H19NO2 — CID 82305595

IUPACmethyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(Oc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C17H19NO2/c1-11-9-12(2)16(13(3)10-11)20-15-7-5-14(6-8-15)17(18)19-4/h5-10,18H,1-4H3/b18-17-
InChIKeySBUNGMOHZZVHOG-ZCXUNETKSA-N
MW269.34 g/mol
LogP4.38
Rot. Bonds3

About methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate

methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate (PubChem CID 82305595) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate.

Molecular Properties

Compound Namemethyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate
PubChem CID82305595
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(Oc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C17H19NO2/c1-11-9-12(2)16(13(3)10-11)20-15-7-5-14(6-8-15)17(18)19-4/h5-10,18H,1-4H3/b18-17-
InChIKeySBUNGMOHZZVHOG-ZCXUNETKSA-N
XLogP4.38
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-methylbenzenecarboximidate;hydrochloride
CID 13090219
methyl 4-(4-ethylphenoxy)benzenecarboximidate
CID 95464155
methyl 4-(3-fluorophenoxy)benzenecarboximidate
CID 82294589
methyl 4-(3-chlorophenoxy)benzenecarboximidate
CID 82302479
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
methyl 4-ethylbenzenecarboximidate
CID 60984990
2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene
CID 82090358
methyl 4-(2,3-dimethylphenyl)benzenecarboximidate
CID 82292503
1-[4-[4-[3,5-dimethyl-4-[4-(2-oxo-2-phenylacetyl)phenoxy]phenyl]-2,6-dimethylphenoxy]phenyl]-2-phenylethane-1,2-dione
CID 101495595
methyl 4-(2,5-dioxopyrrol-1-yl)benzenecarboximidate
CID 70612694
methyl 4-hydroxy-3,5-diiodobenzenecarboximidate
CID 135967496
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate?
The IUPAC name of methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate (CID 82305595) is methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate.
What is the SMILES notation for methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate?
The canonical SMILES for methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate is [H]/N=C(\OC)c1ccc(Oc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate?
The InChIKey is SBUNGMOHZZVHOG-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-9-12(2)16(13(3)10-11)20-15-7-5-14(6-8-15)17(18)19-4/h5-10,18H,1-4H3/b18-17-.
What are the key properties of methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate?
methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate has a molecular weight of 269.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate is sourced from PubChem (CID 82305595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).