[4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate

C16H15NO3 — CID 611461

IUPAC[4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate
SMILESCOc1ccc(/N=C/c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C16H15NO3/c1-12(18)20-16-7-3-13(4-8-16)11-17-14-5-9-15(19-2)10-6-14/h3-11H,1-2H3/b17-11+
InChIKeyHIWTZFIUDYPPFO-GZTJUZNOSA-N
MW269.30 g/mol
LogP3.37
Rot. Bonds4

About [4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate

[4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate (PubChem CID 611461) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate
PubChem CID611461
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name[4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate
SMILESCOc1ccc(/N=C/c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C16H15NO3/c1-12(18)20-16-7-3-13(4-8-16)11-17-14-5-9-15(19-2)10-6-14/h3-11H,1-2H3/b17-11+
InChIKeyHIWTZFIUDYPPFO-GZTJUZNOSA-N
XLogP3.37
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate?
The IUPAC name of [4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate (CID 611461) is [4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate.
What is the SMILES notation for [4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate?
The canonical SMILES for [4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate is COc1ccc(/N=C/c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate?
The InChIKey is HIWTZFIUDYPPFO-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12(18)20-16-7-3-13(4-8-16)11-17-14-5-9-15(19-2)10-6-14/h3-11H,1-2H3/b17-11+.
What are the key properties of [4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate?
[4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate has a molecular weight of 269.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)iminomethyl]phenyl] acetate is sourced from PubChem (CID 611461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).