4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol

C9H13NO3 — CID 89102627

IUPAC4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol
SMILESC[C@@H](CO)Oc1cc(N)ccc1O
InChIInChI=1S/C9H13NO3/c1-6(5-11)13-9-4-7(10)2-3-8(9)12/h2-4,6,11-12H,5,10H2,1H3/t6-/m0/s1
InChIKeyXZVAMWRYZLOVLL-LURJTMIESA-N
MW183.21 g/mol
LogP0.73
Rot. Bonds3

About 4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol

4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol (PubChem CID 89102627) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol.

Molecular Properties

Compound Name4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol
PubChem CID89102627
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol
SMILESC[C@@H](CO)Oc1cc(N)ccc1O
InChIInChI=1S/C9H13NO3/c1-6(5-11)13-9-4-7(10)2-3-8(9)12/h2-4,6,11-12H,5,10H2,1H3/t6-/m0/s1
InChIKeyXZVAMWRYZLOVLL-LURJTMIESA-N
XLogP0.73
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenoxy)propan-1-ol
CID 130503390
4-amino-2-ethoxyphenol
CID 12856010
(1E,6E)-1-[4-hydroxy-3-(1-hydroxypropan-2-yloxy)phenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 141174702
4-methyl-3-pentan-2-yloxyaniline
CID 107890554
2-(4-hydroxy-3-propan-2-yloxyphenoxy)propane-1,3-diol
CID 77231109
2-(2,4-dimethylphenoxy)propan-1-ol
CID 82075061
1-(2,5-diaminophenoxy)ethane-1,2-diol
CID 144827067
4-amino-2-(2-methylpropyl)phenol
CID 56609860
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
4-amino-2-propan-2-yloxybenzamide
CID 53495725
4-(1-aminopropan-2-yloxy)-3-chloroaniline
CID 82506183
(2R)-2-(2-fluoro-4-methylphenoxy)propan-1-ol
CID 90121366

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol?
The IUPAC name of 4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol (CID 89102627) is 4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol.
What is the SMILES notation for 4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol?
The canonical SMILES for 4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol is C[C@@H](CO)Oc1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol?
The InChIKey is XZVAMWRYZLOVLL-LURJTMIESA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(5-11)13-9-4-7(10)2-3-8(9)12/h2-4,6,11-12H,5,10H2,1H3/t6-/m0/s1.
What are the key properties of 4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol?
4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol has a molecular weight of 183.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol is sourced from PubChem (CID 89102627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).