methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate

C19H23NO4 — CID 160768273

IUPACmethane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate
SMILESC.COC(=O)c1ccc(/C=N/c2ccc(C)cc2)cc1.COC=O
InChIInChI=1S/C16H15NO2.C2H4O2.CH4/c1-12-3-9-15(10-4-12)17-11-13-5-7-14(8-6-13)16(18)19-2;1-4-2-3;/h3-11H,1-2H3;2H,1H3;1H4/b17-11+;;
InChIKeyRYYXULSUIAWKSG-HSZLIDMQSA-N
MW329.40 g/mol
LogP3.96
Rot. Bonds4

About methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate

methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate (PubChem CID 160768273) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate.

Molecular Properties

Compound Namemethane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate
PubChem CID160768273
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namemethane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate
SMILESC.COC(=O)c1ccc(/C=N/c2ccc(C)cc2)cc1.COC=O
InChIInChI=1S/C16H15NO2.C2H4O2.CH4/c1-12-3-9-15(10-4-12)17-11-13-5-7-14(8-6-13)16(18)19-2;1-4-2-3;/h3-11H,1-2H3;2H,1H3;1H4/b17-11+;;
InChIKeyRYYXULSUIAWKSG-HSZLIDMQSA-N
XLogP3.96
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[4-[2-[4-[(4-methoxycarbonylphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]benzoate
CID 2642368
(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
CID 102302331
4-[(4-methylphenyl)iminomethyl]benzoic acid
CID 3402295
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-bromobenzoate
CID 102305242
methyl 4-methylbenzoate
CID 91113291
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
methyl 4-methylbenzoate
CID 7455
methyl 4-[(4-cyclohexylphenyl)iminomethyl]benzoate
CID 67483323
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(dimethylamino)benzoate
CID 102305243
methyl 4-[(4-dodecoxyphenyl)methylideneamino]benzoate
CID 102441391
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(trifluoromethyl)benzoate
CID 102305246

Frequently Asked Questions

What is the IUPAC name of methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate?
The IUPAC name of methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate (CID 160768273) is methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate.
What is the SMILES notation for methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate?
The canonical SMILES for methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate is C.COC(=O)c1ccc(/C=N/c2ccc(C)cc2)cc1.COC=O.
What is the InChIKey of methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate?
The InChIKey is RYYXULSUIAWKSG-HSZLIDMQSA-N. The full InChI is InChI=1S/C16H15NO2.C2H4O2.CH4/c1-12-3-9-15(10-4-12)17-11-13-5-7-14(8-6-13)16(18)19-2;1-4-2-3;/h3-11H,1-2H3;2H,1H3;1H4/b17-11+;;.
What are the key properties of methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate?
methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate has a molecular weight of 329.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate is sourced from PubChem (CID 160768273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).