(3R)-3-anilinooxy-4-phenylbutan-2-one

C16H17NO2 — CID 102508106

IUPAC(3R)-3-anilinooxy-4-phenylbutan-2-one
SMILESCC(=O)[C@@H](Cc1ccccc1)ONc1ccccc1
InChIInChI=1S/C16H17NO2/c1-13(18)16(12-14-8-4-2-5-9-14)19-17-15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-/m1/s1
InChIKeyJRJUVEHQZTWANS-MRXNPFEDSA-N
MW255.32 g/mol
LogP3.23
Rot. Bonds6

About (3R)-3-anilinooxy-4-phenylbutan-2-one

(3R)-3-anilinooxy-4-phenylbutan-2-one (PubChem CID 102508106) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3R)-3-anilinooxy-4-phenylbutan-2-one.

Molecular Properties

Compound Name(3R)-3-anilinooxy-4-phenylbutan-2-one
PubChem CID102508106
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(3R)-3-anilinooxy-4-phenylbutan-2-one
SMILESCC(=O)[C@@H](Cc1ccccc1)ONc1ccccc1
InChIInChI=1S/C16H17NO2/c1-13(18)16(12-14-8-4-2-5-9-14)19-17-15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-/m1/s1
InChIKeyJRJUVEHQZTWANS-MRXNPFEDSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-anilinooxy-4-phenylbutan-2-one?
The IUPAC name of (3R)-3-anilinooxy-4-phenylbutan-2-one (CID 102508106) is (3R)-3-anilinooxy-4-phenylbutan-2-one.
What is the SMILES notation for (3R)-3-anilinooxy-4-phenylbutan-2-one?
The canonical SMILES for (3R)-3-anilinooxy-4-phenylbutan-2-one is CC(=O)[C@@H](Cc1ccccc1)ONc1ccccc1.
What is the InChIKey of (3R)-3-anilinooxy-4-phenylbutan-2-one?
The InChIKey is JRJUVEHQZTWANS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13(18)16(12-14-8-4-2-5-9-14)19-17-15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-anilinooxy-4-phenylbutan-2-one?
(3R)-3-anilinooxy-4-phenylbutan-2-one has a molecular weight of 255.32 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-anilinooxy-4-phenylbutan-2-one is sourced from PubChem (CID 102508106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).