(4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium

C16H19ClNO2+ — CID 2077749

IUPAC(4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium
SMILESO[C@H](C[NH2+]Cc1ccc(Cl)cc1)COc1ccccc1
InChIInChI=1S/C16H18ClNO2/c17-14-8-6-13(7-9-14)10-18-11-15(19)12-20-16-4-2-1-3-5-16/h1-9,15,18-19H,10-12H2/p+1/t15-/m1/s1
InChIKeyXUMWZOHEALGQBC-OAHLLOKOSA-O
MW292.79 g/mol
LogP1.84
Rot. Bonds7

About (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium

(4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium (PubChem CID 2077749) has the molecular formula C16H19ClNO2+ and a molecular weight of 292.79 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium
PubChem CID2077749
Molecular FormulaC16H19ClNO2+
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name(4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium
SMILESO[C@H](C[NH2+]Cc1ccc(Cl)cc1)COc1ccccc1
InChIInChI=1S/C16H18ClNO2/c17-14-8-6-13(7-9-14)10-18-11-15(19)12-20-16-4-2-1-3-5-16/h1-9,15,18-19H,10-12H2/p+1/t15-/m1/s1
InChIKeyXUMWZOHEALGQBC-OAHLLOKOSA-O
XLogP1.84
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium
CID 2359138
[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
(2-chlorophenyl)methyl-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]azanium
CID 2382038
2-(4-chlorophenyl)ethyl-[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium
CID 2502105
(4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium
CID 7827919
1-(4-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798401
3-phenoxypropane-1,2-diol
CID 158587241
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 10857
[(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium
CID 6957345
[4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311627
(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium?
The IUPAC name of (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium (CID 2077749) is (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium.
What is the SMILES notation for (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium?
The canonical SMILES for (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium is O[C@H](C[NH2+]Cc1ccc(Cl)cc1)COc1ccccc1.
What is the InChIKey of (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium?
The InChIKey is XUMWZOHEALGQBC-OAHLLOKOSA-O. The full InChI is InChI=1S/C16H18ClNO2/c17-14-8-6-13(7-9-14)10-18-11-15(19)12-20-16-4-2-1-3-5-16/h1-9,15,18-19H,10-12H2/p+1/t15-/m1/s1.
What are the key properties of (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium?
(4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium has a molecular weight of 292.79 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium is sourced from PubChem (CID 2077749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).