[4-(benzhydryliminomethyl)phenyl] acetate

C22H19NO2 — CID 11142075

IUPAC[4-(benzhydryliminomethyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=N/C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-17(24)25-21-14-12-18(13-15-21)16-23-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,22H,1H3/b23-16+
InChIKeyZVSYRBPUKRQQCN-XQNSMLJCSA-N
MW329.40 g/mol
LogP4.82
Rot. Bonds5

About [4-(benzhydryliminomethyl)phenyl] acetate

[4-(benzhydryliminomethyl)phenyl] acetate (PubChem CID 11142075) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-(benzhydryliminomethyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(benzhydryliminomethyl)phenyl] acetate
PubChem CID11142075
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name[4-(benzhydryliminomethyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=N/C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-17(24)25-21-14-12-18(13-15-21)16-23-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,22H,1H3/b23-16+
InChIKeyZVSYRBPUKRQQCN-XQNSMLJCSA-N
XLogP4.82
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(benzhydryliminomethyl)phenyl] acetate?
The IUPAC name of [4-(benzhydryliminomethyl)phenyl] acetate (CID 11142075) is [4-(benzhydryliminomethyl)phenyl] acetate.
What is the SMILES notation for [4-(benzhydryliminomethyl)phenyl] acetate?
The canonical SMILES for [4-(benzhydryliminomethyl)phenyl] acetate is CC(=O)Oc1ccc(/C=N/C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(benzhydryliminomethyl)phenyl] acetate?
The InChIKey is ZVSYRBPUKRQQCN-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H19NO2/c1-17(24)25-21-14-12-18(13-15-21)16-23-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,22H,1H3/b23-16+.
What are the key properties of [4-(benzhydryliminomethyl)phenyl] acetate?
[4-(benzhydryliminomethyl)phenyl] acetate has a molecular weight of 329.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzhydryliminomethyl)phenyl] acetate is sourced from PubChem (CID 11142075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).