methyl 4-(4-ethylphenoxy)benzenecarboximidate

C16H17NO2 — CID 95464155

IUPACmethyl 4-(4-ethylphenoxy)benzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-3-12-4-8-14(9-5-12)19-15-10-6-13(7-11-15)16(17)18-2/h4-11,17H,3H2,1-2H3/b17-16-
InChIKeySOBFFCRPJDCZMB-MSUUIHNZSA-N
MW255.32 g/mol
LogP4.01
Rot. Bonds4

About methyl 4-(4-ethylphenoxy)benzenecarboximidate

methyl 4-(4-ethylphenoxy)benzenecarboximidate (PubChem CID 95464155) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 4-(4-ethylphenoxy)benzenecarboximidate.

Molecular Properties

Compound Namemethyl 4-(4-ethylphenoxy)benzenecarboximidate
PubChem CID95464155
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl 4-(4-ethylphenoxy)benzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-3-12-4-8-14(9-5-12)19-15-10-6-13(7-11-15)16(17)18-2/h4-11,17H,3H2,1-2H3/b17-16-
InChIKeySOBFFCRPJDCZMB-MSUUIHNZSA-N
XLogP4.01
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.01
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'}

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Related Compounds

methyl 4-ethylbenzenecarboximidate
CID 60984990
methyl 4-(3-fluorophenoxy)benzenecarboximidate
CID 82294589
methyl 4-(3-chlorophenoxy)benzenecarboximidate
CID 82302479
methyl 3-(4-ethylphenyl)benzenecarboximidate
CID 82292494
methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate
CID 82305595
methyl 4-methylbenzenecarboximidate;hydrochloride
CID 13090219
5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184739
1-ethyl-4-[4-(methoxymethyl)phenoxy]benzene
CID 170064957
1-ethyl-4-(4-iodophenoxy)benzene
CID 118066756
methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate
CID 95466016
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
methyl 3-(4-ethylphenyl)propanimidate
CID 95436765

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-ethylphenoxy)benzenecarboximidate?
The IUPAC name of methyl 4-(4-ethylphenoxy)benzenecarboximidate (CID 95464155) is methyl 4-(4-ethylphenoxy)benzenecarboximidate.
What is the SMILES notation for methyl 4-(4-ethylphenoxy)benzenecarboximidate?
The canonical SMILES for methyl 4-(4-ethylphenoxy)benzenecarboximidate is [H]/N=C(\OC)c1ccc(Oc2ccc(CC)cc2)cc1.
What is the InChIKey of methyl 4-(4-ethylphenoxy)benzenecarboximidate?
The InChIKey is SOBFFCRPJDCZMB-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-12-4-8-14(9-5-12)19-15-10-6-13(7-11-15)16(17)18-2/h4-11,17H,3H2,1-2H3/b17-16-.
What are the key properties of methyl 4-(4-ethylphenoxy)benzenecarboximidate?
methyl 4-(4-ethylphenoxy)benzenecarboximidate has a molecular weight of 255.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-ethylphenoxy)benzenecarboximidate is sourced from PubChem (CID 95464155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).