4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol

C13H16ClNO2 — CID 15414934

IUPAC4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2OC2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO2/c14-10-3-1-9(2-4-10)13-15(17-13)11-5-7-12(16)8-6-11/h1-4,11-13,16H,5-8H2
InChIKeyLEGJIJWEIFKQQP-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.89
Rot. Bonds2

About 4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol

4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol (PubChem CID 15414934) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol
PubChem CID15414934
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2OC2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO2/c14-10-3-1-9(2-4-10)13-15(17-13)11-5-7-12(16)8-6-11/h1-4,11-13,16H,5-8H2
InChIKeyLEGJIJWEIFKQQP-UHFFFAOYSA-N
XLogP2.89
TPSA35.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol (CID 15414934) is 4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol is OC1CCC(N2OC2c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol?
The InChIKey is LEGJIJWEIFKQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-10-3-1-9(2-4-10)13-15(17-13)11-5-7-12(16)8-6-11/h1-4,11-13,16H,5-8H2.
What are the key properties of 4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol?
4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol has a molecular weight of 253.73 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)oxaziridin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 15414934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).