3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol

C8H10BrNO2 — CID 66515055

IUPAC3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
SMILESN[C@@H](CO)c1cc(O)ccc1Br
InChIInChI=1S/C8H10BrNO2/c9-7-2-1-5(12)3-6(7)8(10)4-11/h1-3,8,11-12H,4,10H2/t8-/m0/s1
InChIKeyGUMTZRZYCSEZBF-QMMMGPOBSA-N
MW232.08 g/mol
LogP1.15
Rot. Bonds2

About 3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol

3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol (PubChem CID 66515055) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
PubChem CID66515055
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
SMILESN[C@@H](CO)c1cc(O)ccc1Br
InChIInChI=1S/C8H10BrNO2/c9-7-2-1-5(12)3-6(7)8(10)4-11/h1-3,8,11-12H,4,10H2/t8-/m0/s1
InChIKeyGUMTZRZYCSEZBF-QMMMGPOBSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
CID 171203542
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
CID 131075568
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanoic acid
CID 130706996
2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
3-[(1S)-1-amino-3-fluoropropyl]-4-bromophenol;hydrochloride
CID 171223095
3-[(1S)-1-aminopentyl]-4-bromophenol
CID 171223086
(1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol
CID 130649535
(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
CID 171203752
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanenitrile;hydrochloride
CID 171259937
3-(1-amino-2-hydroxyethyl)-4-fluorophenol
CID 55296620
3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride
CID 171203537
3-(1-amino-2-hydroxyethyl)-6-bromobenzene-1,2-diol
CID 117372646

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol?
The IUPAC name of 3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol (CID 66515055) is 3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol.
What is the SMILES notation for 3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol?
The canonical SMILES for 3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol is N[C@@H](CO)c1cc(O)ccc1Br.
What is the InChIKey of 3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol?
The InChIKey is GUMTZRZYCSEZBF-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10BrNO2/c9-7-2-1-5(12)3-6(7)8(10)4-11/h1-3,8,11-12H,4,10H2/t8-/m0/s1.
What are the key properties of 3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol?
3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol has a molecular weight of 232.08 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol is sourced from PubChem (CID 66515055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).