[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium

C9H14NO2+ — CID 6931144

IUPAC[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium
SMILESC[C@@H]([NH3+])[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3/p+1/t6-,9+/m1/s1
InChIKeyJAYBQRKXEFDRER-MUWHJKNJSA-O
MW168.22 g/mol
LogP0.06
Rot. Bonds2

About [(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium

[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium (PubChem CID 6931144) has the molecular formula C9H14NO2+ and a molecular weight of 168.22 g/mol. Its IUPAC name is [(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium.

Molecular Properties

Compound Name[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium
PubChem CID6931144
Molecular FormulaC9H14NO2+
Molecular Weight168.22 g/mol
Exact Mass168.10
IUPAC Name[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium
SMILESC[C@@H]([NH3+])[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3/p+1/t6-,9+/m1/s1
InChIKeyJAYBQRKXEFDRER-MUWHJKNJSA-O
XLogP0.06
TPSA68.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-1-(3,4-dihydroxyphenyl)-1-hydroxypropan-2-yl]azanium
CID 6919631
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride
CID 169441604
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
(E)-4-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-4-oxobut-2-enoate;(1-hydroxy-1-phenylpropan-2-yl)azanium
CID 110183024
4-(1-hydroxy-2,2-dimethoxyethyl)phenol
CID 15515162
methane;4-propan-2-ylphenol
CID 159328733
4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol
CID 82263328
[1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride
CID 110184492
methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 62393477
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
4-[[ethyl(methyl)amino]-hydroxymethyl]phenol
CID 67460714

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium?
The IUPAC name of [(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium (CID 6931144) is [(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium.
What is the SMILES notation for [(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium?
The canonical SMILES for [(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium is C[C@@H]([NH3+])[C@H](O)c1ccc(O)cc1.
What is the InChIKey of [(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium?
The InChIKey is JAYBQRKXEFDRER-MUWHJKNJSA-O. The full InChI is InChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3/p+1/t6-,9+/m1/s1.
What are the key properties of [(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium?
[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium has a molecular weight of 168.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium is sourced from PubChem (CID 6931144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).