cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one

C18H19NO2 — CID 11196774

IUPACcis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one
SMILESO=C1CCC[C@H](c2ccccc2)[C@H]1ONc1ccccc1
InChIInChI=1S/C18H19NO2/c20-17-13-7-12-16(14-8-3-1-4-9-14)18(17)21-19-15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-,18-/m1/s1
InChIKeyYUERTCUDIIETRZ-SJLPKXTDSA-N
MW281.36 g/mol
LogP3.94
Rot. Bonds4

About cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one

cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one (PubChem CID 11196774) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one
PubChem CID11196774
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namecis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one
SMILESO=C1CCC[C@H](c2ccccc2)[C@H]1ONc1ccccc1
InChIInChI=1S/C18H19NO2/c20-17-13-7-12-16(14-8-3-1-4-9-14)18(17)21-19-15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-,18-/m1/s1
InChIKeyYUERTCUDIIETRZ-SJLPKXTDSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.94
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 cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one?
The IUPAC name of cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one (CID 11196774) is cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one.
What is the SMILES notation for cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one?
The canonical SMILES for cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one is O=C1CCC[C@H](c2ccccc2)[C@H]1ONc1ccccc1.
What is the InChIKey of cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one?
The InChIKey is YUERTCUDIIETRZ-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H19NO2/c20-17-13-7-12-16(14-8-3-1-4-9-14)18(17)21-19-15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-,18-/m1/s1.
What are the key properties of cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one?
cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one has a molecular weight of 281.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-2-anilinooxy-3-phenylcyclohexan-1-one is sourced from PubChem (CID 11196774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).