[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium

C19H32NO3+ — CID 2093135

IUPAC[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium
SMILESCCC[NH+](CCC)C[C@@H](O)COc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C19H31NO3/c1-4-12-20(13-5-2)14-18(22)15-23-19-10-8-17(9-11-19)7-6-16(3)21/h8-11,18,22H,4-7,12-15H2,1-3H3/p+1/t18-/m1/s1
InChIKeyCDDVVXHCQZCLHG-GOSISDBHSA-O
MW322.47 g/mol
LogP1.65
Rot. Bonds12

About [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium

[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium (PubChem CID 2093135) has the molecular formula C19H32NO3+ and a molecular weight of 322.47 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium
PubChem CID2093135
Molecular FormulaC19H32NO3+
Molecular Weight322.47 g/mol
Exact Mass322.24
IUPAC Name[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium
SMILESCCC[NH+](CCC)C[C@@H](O)COc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C19H31NO3/c1-4-12-20(13-5-2)14-18(22)15-23-19-10-8-17(9-11-19)7-6-16(3)21/h8-11,18,22H,4-7,12-15H2,1-3H3/p+1/t18-/m1/s1
InChIKeyCDDVVXHCQZCLHG-GOSISDBHSA-O
XLogP1.65
TPSA50.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one
CID 63932166
[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 7814904
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
1-[4-(3-oxobutyl)phenoxy]pentan-2-one
CID 62042090
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
4-[4-[2-hydroxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]butan-2-one
CID 51223278
4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one
CID 110885738
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
(2R)-3-(4-pentadecylphenoxy)propane-1,2-diol
CID 95907091
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
3-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]quinazolin-4-one
CID 51283428

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium?
The IUPAC name of [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium (CID 2093135) is [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium.
What is the SMILES notation for [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium?
The canonical SMILES for [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium is CCC[NH+](CCC)C[C@@H](O)COc1ccc(CCC(C)=O)cc1.
What is the InChIKey of [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium?
The InChIKey is CDDVVXHCQZCLHG-GOSISDBHSA-O. The full InChI is InChI=1S/C19H31NO3/c1-4-12-20(13-5-2)14-18(22)15-23-19-10-8-17(9-11-19)7-6-16(3)21/h8-11,18,22H,4-7,12-15H2,1-3H3/p+1/t18-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium?
[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium has a molecular weight of 322.47 g/mol, XLogP of 1.65, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium is sourced from PubChem (CID 2093135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).