[(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium

C16H23ClNO2+ — CID 7721825

IUPAC[(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium
SMILESC[NH+](C)C[C@H]1CCCC[C@H]1OC(=O)c1ccccc1Cl
InChIInChI=1S/C16H22ClNO2/c1-18(2)11-12-7-3-6-10-15(12)20-16(19)13-8-4-5-9-14(13)17/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3/p+1/t12-,15-/m1/s1
InChIKeyAJNYCRJSZDYTHX-IUODEOHRSA-O
MW296.82 g/mol
LogP2.20
Rot. Bonds4

About [(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium

[(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium (PubChem CID 7721825) has the molecular formula C16H23ClNO2+ and a molecular weight of 296.82 g/mol. Its IUPAC name is [(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium
PubChem CID7721825
Molecular FormulaC16H23ClNO2+
Molecular Weight296.82 g/mol
Exact Mass296.14
IUPAC Name[(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium
SMILESC[NH+](C)C[C@H]1CCCC[C@H]1OC(=O)c1ccccc1Cl
InChIInChI=1S/C16H22ClNO2/c1-18(2)11-12-7-3-6-10-15(12)20-16(19)13-8-4-5-9-14(13)17/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3/p+1/t12-,15-/m1/s1
InChIKeyAJNYCRJSZDYTHX-IUODEOHRSA-O
XLogP2.20
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium?
The IUPAC name of [(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium (CID 7721825) is [(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium.
What is the SMILES notation for [(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium?
The canonical SMILES for [(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium is C[NH+](C)C[C@H]1CCCC[C@H]1OC(=O)c1ccccc1Cl.
What is the InChIKey of [(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium?
The InChIKey is AJNYCRJSZDYTHX-IUODEOHRSA-O. The full InChI is InChI=1S/C16H22ClNO2/c1-18(2)11-12-7-3-6-10-15(12)20-16(19)13-8-4-5-9-14(13)17/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3/p+1/t12-,15-/m1/s1.
What are the key properties of [(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium?
[(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium has a molecular weight of 296.82 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-chlorobenzoyl)oxycyclohexyl]methyl-dimethylazanium is sourced from PubChem (CID 7721825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).