(2R)-2-anilinooxy-3-phenylpropan-1-ol

C15H17NO2 — CID 11218759

IUPAC(2R)-2-anilinooxy-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)ONc1ccccc1
InChIInChI=1S/C15H17NO2/c17-12-15(11-13-7-3-1-4-8-13)18-16-14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-/m1/s1
InChIKeySDICSEQPIDEXGS-OAHLLOKOSA-N
MW243.31 g/mol
LogP2.63
Rot. Bonds6

About (2R)-2-anilinooxy-3-phenylpropan-1-ol

(2R)-2-anilinooxy-3-phenylpropan-1-ol (PubChem CID 11218759) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-2-anilinooxy-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-anilinooxy-3-phenylpropan-1-ol
PubChem CID11218759
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(2R)-2-anilinooxy-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)ONc1ccccc1
InChIInChI=1S/C15H17NO2/c17-12-15(11-13-7-3-1-4-8-13)18-16-14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-/m1/s1
InChIKeySDICSEQPIDEXGS-OAHLLOKOSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-anilinooxy-3-phenylpropan-1-ol 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 (2R)-2-anilinooxy-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-anilinooxy-3-phenylpropan-1-ol (CID 11218759) is (2R)-2-anilinooxy-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-anilinooxy-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-anilinooxy-3-phenylpropan-1-ol is OC[C@@H](Cc1ccccc1)ONc1ccccc1.
What is the InChIKey of (2R)-2-anilinooxy-3-phenylpropan-1-ol?
The InChIKey is SDICSEQPIDEXGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17NO2/c17-12-15(11-13-7-3-1-4-8-13)18-16-14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-/m1/s1.
What are the key properties of (2R)-2-anilinooxy-3-phenylpropan-1-ol?
(2R)-2-anilinooxy-3-phenylpropan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilinooxy-3-phenylpropan-1-ol is sourced from PubChem (CID 11218759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).