[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium

C24H32NO3+ — CID 2102085

IUPAC[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium
SMILESO=C(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+]C2CCCCCCC2)cc1
InChIInChI=1S/C24H31NO3/c26-22(17-25-21-11-7-2-1-3-8-12-21)18-28-23-15-13-20(14-16-23)24(27)19-9-5-4-6-10-19/h4-6,9-10,13-16,21-22,25-26H,1-3,7-8,11-12,17-18H2/p+1/t22-/m1/s1
InChIKeyFOTNOSZTKHTRLJ-JOCHJYFZSA-O
MW382.52 g/mol
LogP3.33
Rot. Bonds8

About [(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium

[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium (PubChem CID 2102085) has the molecular formula C24H32NO3+ and a molecular weight of 382.52 g/mol. Its IUPAC name is [(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium.

Molecular Properties

Compound Name[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium
PubChem CID2102085
Molecular FormulaC24H32NO3+
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC Name[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium
SMILESO=C(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+]C2CCCCCCC2)cc1
InChIInChI=1S/C24H31NO3/c26-22(17-25-21-11-7-2-1-3-8-12-21)18-28-23-15-13-20(14-16-23)24(27)19-9-5-4-6-10-19/h4-6,9-10,13-16,21-22,25-26H,1-3,7-8,11-12,17-18H2/p+1/t22-/m1/s1
InChIKeyFOTNOSZTKHTRLJ-JOCHJYFZSA-O
XLogP3.33
TPSA63.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187887
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7473337
cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium
CID 7473365
[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187889
cyclopentyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium
CID 7473347
[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium
CID 7420719
chloromethane;[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone;hydrate
CID 66916242
[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-(thiophen-2-ylmethyl)azanium
CID 2109948
chloromethane;[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone;(4-methylphenyl)-phenylmethanone
CID 158757358
bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone
CID 53311159
[4-[3-[[3-(4-benzoylphenoxy)-2-hydroxypropyl]-[2-[2-[bis[3-(4-benzoylphenoxy)-2-hydroxypropyl]amino]ethoxy]ethyl]amino]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 88591534
[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium
CID 7187890

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium?
The IUPAC name of [(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium (CID 2102085) is [(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium.
What is the SMILES notation for [(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium?
The canonical SMILES for [(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium is O=C(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+]C2CCCCCCC2)cc1.
What is the InChIKey of [(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium?
The InChIKey is FOTNOSZTKHTRLJ-JOCHJYFZSA-O. The full InChI is InChI=1S/C24H31NO3/c26-22(17-25-21-11-7-2-1-3-8-12-21)18-28-23-15-13-20(14-16-23)24(27)19-9-5-4-6-10-19/h4-6,9-10,13-16,21-22,25-26H,1-3,7-8,11-12,17-18H2/p+1/t22-/m1/s1.
What are the key properties of [(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium?
[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium has a molecular weight of 382.52 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium is sourced from PubChem (CID 2102085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).