cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium

C16H26NO+ — CID 2398315

IUPACcyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
SMILESO[C@H](C[NH2+]C1CCCCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c18-16(14-9-5-4-6-10-14)13-17-15-11-7-2-1-3-8-12-15/h4-6,9-10,15-18H,1-3,7-8,11-13H2/p+1/t16-/m1/s1
InChIKeyVDRJFKUZCJMJLI-MRXNPFEDSA-O
MW248.39 g/mol
LogP2.40
Rot. Bonds4

About cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium

cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium (PubChem CID 2398315) has the molecular formula C16H26NO+ and a molecular weight of 248.39 g/mol. Its IUPAC name is cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium.

Molecular Properties

Compound Namecyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
PubChem CID2398315
Molecular FormulaC16H26NO+
Molecular Weight248.39 g/mol
Exact Mass248.20
IUPAC Namecyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
SMILESO[C@H](C[NH2+]C1CCCCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c18-16(14-9-5-4-6-10-14)13-17-15-11-7-2-1-3-8-12-15/h4-6,9-10,15-18H,1-3,7-8,11-13H2/p+1/t16-/m1/s1
InChIKeyVDRJFKUZCJMJLI-MRXNPFEDSA-O
XLogP2.40
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium
CID 3441735
2-cyclopentyl-1-phenylethanol
CID 15629098
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
(R)-cycloheptyl(phenyl)methanol
CID 94502427
(1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol
CID 134954711
(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
CID 46915097
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium
CID 2102085
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium?
The IUPAC name of cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium (CID 2398315) is cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium.
What is the SMILES notation for cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium?
The canonical SMILES for cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium is O[C@H](C[NH2+]C1CCCCCCC1)c1ccccc1.
What is the InChIKey of cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium?
The InChIKey is VDRJFKUZCJMJLI-MRXNPFEDSA-O. The full InChI is InChI=1S/C16H25NO/c18-16(14-9-5-4-6-10-14)13-17-15-11-7-2-1-3-8-12-15/h4-6,9-10,15-18H,1-3,7-8,11-13H2/p+1/t16-/m1/s1.
What are the key properties of cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium?
cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium has a molecular weight of 248.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[(2S)-2-hydroxy-2-phenylethyl]azanium is sourced from PubChem (CID 2398315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).