3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol

C9H12BrNO2 — CID 131075568

IUPAC3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
SMILESN[C@H](CCO)c1cc(O)ccc1Br
InChIInChI=1S/C9H12BrNO2/c10-8-2-1-6(13)5-7(8)9(11)3-4-12/h1-2,5,9,12-13H,3-4,11H2/t9-/m1/s1
InChIKeyWMASCWMHBYSJJQ-SECBINFHSA-N
MW246.10 g/mol
LogP1.54
Rot. Bonds3

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

3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol (PubChem CID 131075568) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol.

Molecular Properties

Compound Name3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
PubChem CID131075568
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
SMILESN[C@H](CCO)c1cc(O)ccc1Br
InChIInChI=1S/C9H12BrNO2/c10-8-2-1-6(13)5-7(8)9(11)3-4-12/h1-2,5,9,12-13H,3-4,11H2/t9-/m1/s1
InChIKeyWMASCWMHBYSJJQ-SECBINFHSA-N
XLogP1.54
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
CID 66515055
3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
CID 171203542
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689
3-[(1S)-1-aminopentyl]-4-bromophenol
CID 171223086
3-[(1S)-1-amino-3-fluoropropyl]-4-bromophenol;hydrochloride
CID 171223095
3-(1-amino-3-hydroxypropyl)-4-ethylphenol
CID 55269624
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanoic acid
CID 130706996
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
4-[(1R)-1-amino-3-hydroxypropyl]benzene-1,3-diol;hydrochloride
CID 171200142
2-[(1R)-1-amino-4-hydroxybutyl]benzene-1,4-diol
CID 55265459
4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol
CID 131872319
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanenitrile;hydrochloride
CID 171259937

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol?
The IUPAC name of 3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol (CID 131075568) is 3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol.
What is the SMILES notation for 3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol?
The canonical SMILES for 3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol is N[C@H](CCO)c1cc(O)ccc1Br.
What is the InChIKey of 3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol?
The InChIKey is WMASCWMHBYSJJQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H12BrNO2/c10-8-2-1-6(13)5-7(8)9(11)3-4-12/h1-2,5,9,12-13H,3-4,11H2/t9-/m1/s1.
What are the key properties of 3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol?
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol has a molecular weight of 246.10 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol is sourced from PubChem (CID 131075568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).