2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one

C13H16ClNO2 — CID 86115985

IUPAC2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one
SMILESCNC1(c2ccccc2Cl)CC(O)CCC1=O
InChIInChI=1S/C13H16ClNO2/c1-15-13(8-9(16)6-7-12(13)17)10-4-2-3-5-11(10)14/h2-5,9,15-16H,6-8H2,1H3
InChIKeyRHZRNGQIDYHQPV-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.87
Rot. Bonds2

About 2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one

2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one (PubChem CID 86115985) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one
PubChem CID86115985
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one
SMILESCNC1(c2ccccc2Cl)CC(O)CCC1=O
InChIInChI=1S/C13H16ClNO2/c1-15-13(8-9(16)6-7-12(13)17)10-4-2-3-5-11(10)14/h2-5,9,15-16H,6-8H2,1H3
InChIKeyRHZRNGQIDYHQPV-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one?
The IUPAC name of 2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one (CID 86115985) is 2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one?
The canonical SMILES for 2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one is CNC1(c2ccccc2Cl)CC(O)CCC1=O.
What is the InChIKey of 2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one?
The InChIKey is RHZRNGQIDYHQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-15-13(8-9(16)6-7-12(13)17)10-4-2-3-5-11(10)14/h2-5,9,15-16H,6-8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one?
2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one has a molecular weight of 253.73 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one is sourced from PubChem (CID 86115985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).