4-[(1R)-1-amino-2-hydroxypropyl]phenol

C9H13NO2 — CID 130840642

IUPAC4-[(1R)-1-amino-2-hydroxypropyl]phenol
SMILESCC(O)[C@H](N)c1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-6(11)9(10)7-2-4-8(12)5-3-7/h2-6,9,11-12H,10H2,1H3/t6?,9-/m0/s1
InChIKeyLERQUQVEZIFCKB-HSOSERFQSA-N
MW167.21 g/mol
LogP0.77
Rot. Bonds2

About 4-[(1R)-1-amino-2-hydroxypropyl]phenol

4-[(1R)-1-amino-2-hydroxypropyl]phenol (PubChem CID 130840642) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-hydroxypropyl]phenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-hydroxypropyl]phenol
PubChem CID130840642
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-[(1R)-1-amino-2-hydroxypropyl]phenol
SMILESCC(O)[C@H](N)c1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-6(11)9(10)7-2-4-8(12)5-3-7/h2-6,9,11-12H,10H2,1H3/t6?,9-/m0/s1
InChIKeyLERQUQVEZIFCKB-HSOSERFQSA-N
XLogP0.77
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-(1,2-diaminopropyl)phenol
CID 24841393
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
1-amino-1-(4-sulfanylphenyl)propan-2-ol
CID 55292846
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol
CID 130779699
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 55295292
4-[(1R,2R)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 131007796
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol
CID 55270641

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-hydroxypropyl]phenol?
The IUPAC name of 4-[(1R)-1-amino-2-hydroxypropyl]phenol (CID 130840642) is 4-[(1R)-1-amino-2-hydroxypropyl]phenol.
What is the SMILES notation for 4-[(1R)-1-amino-2-hydroxypropyl]phenol?
The canonical SMILES for 4-[(1R)-1-amino-2-hydroxypropyl]phenol is CC(O)[C@H](N)c1ccc(O)cc1.
What is the InChIKey of 4-[(1R)-1-amino-2-hydroxypropyl]phenol?
The InChIKey is LERQUQVEZIFCKB-HSOSERFQSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(11)9(10)7-2-4-8(12)5-3-7/h2-6,9,11-12H,10H2,1H3/t6?,9-/m0/s1.
What are the key properties of 4-[(1R)-1-amino-2-hydroxypropyl]phenol?
4-[(1R)-1-amino-2-hydroxypropyl]phenol has a molecular weight of 167.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-hydroxypropyl]phenol is sourced from PubChem (CID 130840642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).