2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one

C12H14ClNO2 — CID 86115991

IUPAC2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one
SMILESNC1(c2ccccc2Cl)CCC(O)CC1=O
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)12(14)6-5-8(15)7-11(12)16/h1-4,8,15H,5-7,14H2
InChIKeyJNIMTHZVAYLUSL-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.61
Rot. Bonds1

About 2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one

2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one (PubChem CID 86115991) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one
PubChem CID86115991
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one
SMILESNC1(c2ccccc2Cl)CCC(O)CC1=O
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)12(14)6-5-8(15)7-11(12)16/h1-4,8,15H,5-7,14H2
InChIKeyJNIMTHZVAYLUSL-UHFFFAOYSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one?
The IUPAC name of 2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one (CID 86115991) is 2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one.
What is the SMILES notation for 2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one?
The canonical SMILES for 2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one is NC1(c2ccccc2Cl)CCC(O)CC1=O.
What is the InChIKey of 2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one?
The InChIKey is JNIMTHZVAYLUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)12(14)6-5-8(15)7-11(12)16/h1-4,8,15H,5-7,14H2.
What are the key properties of 2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one?
2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one has a molecular weight of 239.70 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one is sourced from PubChem (CID 86115991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).