4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one

C16H15NO2 — CID 149075879

IUPAC4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one
SMILESCC1C(=O)OC1c1ccc(-c2ccccc2N)cc1
InChIInChI=1S/C16H15NO2/c1-10-15(19-16(10)18)12-8-6-11(7-9-12)13-4-2-3-5-14(13)17/h2-10,15H,17H2,1H3
InChIKeyQOZBKAIIRKGXNM-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.17
Rot. Bonds2

About 4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one

4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one (PubChem CID 149075879) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one.

Molecular Properties

Compound Name4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one
PubChem CID149075879
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one
SMILESCC1C(=O)OC1c1ccc(-c2ccccc2N)cc1
InChIInChI=1S/C16H15NO2/c1-10-15(19-16(10)18)12-8-6-11(7-9-12)13-4-2-3-5-14(13)17/h2-10,15H,17H2,1H3
InChIKeyQOZBKAIIRKGXNM-UHFFFAOYSA-N
XLogP3.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

Analyze 4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one?
The IUPAC name of 4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one (CID 149075879) is 4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one.
What is the SMILES notation for 4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one?
The canonical SMILES for 4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one is CC1C(=O)OC1c1ccc(-c2ccccc2N)cc1.
What is the InChIKey of 4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one?
The InChIKey is QOZBKAIIRKGXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-10-15(19-16(10)18)12-8-6-11(7-9-12)13-4-2-3-5-14(13)17/h2-10,15H,17H2,1H3.
What are the key properties of 4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one?
4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one has a molecular weight of 253.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminophenyl)phenyl]-3-methyloxetan-2-one is sourced from PubChem (CID 149075879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).