[(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium

C15H24NO5+ — CID 2142702

IUPAC[(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium
SMILESCC(=O)c1ccccc1OC[C@H](O)C[NH+](CCO)CCO
InChIInChI=1S/C15H23NO5/c1-12(19)14-4-2-3-5-15(14)21-11-13(20)10-16(6-8-17)7-9-18/h2-5,13,17-18,20H,6-11H2,1H3/p+1/t13-/m1/s1
InChIKeyUANTYFAWWZEVRP-CYBMUJFWSA-O
MW298.36 g/mol
LogP-1.50
Rot. Bonds10

About [(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium

[(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium (PubChem CID 2142702) has the molecular formula C15H24NO5+ and a molecular weight of 298.36 g/mol. Its IUPAC name is [(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name[(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium
PubChem CID2142702
Molecular FormulaC15H24NO5+
Molecular Weight298.36 g/mol
Exact Mass298.16
IUPAC Name[(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium
SMILESCC(=O)c1ccccc1OC[C@H](O)C[NH+](CCO)CCO
InChIInChI=1S/C15H23NO5/c1-12(19)14-4-2-3-5-15(14)21-11-13(20)10-16(6-8-17)7-9-18/h2-5,13,17-18,20H,6-11H2,1H3/p+1/t13-/m1/s1
InChIKeyUANTYFAWWZEVRP-CYBMUJFWSA-O
XLogP-1.50
TPSA91.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
CID 16807424
[2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium
CID 5034063
bis(2-hydroxyethyl)-(2-hydroxy-3-phenoxypropyl)azanium bromide
CID 44661681
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
CID 2968485
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone
CID 7187819
1-[2-(2-methylpentoxy)phenyl]ethanone
CID 62266405
dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium
CID 2288015
2-(2,3-dihydroxypropoxy)benzoic acid;hydrate
CID 141305923
1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone
CID 82037382
1-[2-[2-hydroxy-3-(2-propan-2-yl-3H-benzimidazol-1-ium-1-yl)propoxy]phenyl]ethanone
CID 4059822
1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone
CID 138960383

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium?
The IUPAC name of [(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium (CID 2142702) is [(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium.
What is the SMILES notation for [(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium?
The canonical SMILES for [(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium is CC(=O)c1ccccc1OC[C@H](O)C[NH+](CCO)CCO.
What is the InChIKey of [(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium?
The InChIKey is UANTYFAWWZEVRP-CYBMUJFWSA-O. The full InChI is InChI=1S/C15H23NO5/c1-12(19)14-4-2-3-5-15(14)21-11-13(20)10-16(6-8-17)7-9-18/h2-5,13,17-18,20H,6-11H2,1H3/p+1/t13-/m1/s1.
What are the key properties of [(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium?
[(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium has a molecular weight of 298.36 g/mol, XLogP of -1.50, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium is sourced from PubChem (CID 2142702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).