(1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol

C8H9BrO3 — CID 130649535

IUPAC(1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol
SMILESOC[C@H](O)c1cc(O)ccc1Br
InChIInChI=1S/C8H9BrO3/c9-7-2-1-5(11)3-6(7)8(12)4-10/h1-3,8,10-12H,4H2/t8-/m0/s1
InChIKeyJESNZYCVEWXSCU-QMMMGPOBSA-N
MW233.06 g/mol
LogP1.18
Rot. Bonds2

About (1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol

(1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol (PubChem CID 130649535) has the molecular formula C8H9BrO3 and a molecular weight of 233.06 g/mol. Its IUPAC name is (1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol
PubChem CID130649535
Molecular FormulaC8H9BrO3
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name(1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol
SMILESOC[C@H](O)c1cc(O)ccc1Br
InChIInChI=1S/C8H9BrO3/c9-7-2-1-5(11)3-6(7)8(12)4-10/h1-3,8,10-12H,4H2/t8-/m0/s1
InChIKeyJESNZYCVEWXSCU-QMMMGPOBSA-N
XLogP1.18
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.18
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
3-amino-1-(2-bromo-5-hydroxyphenyl)propane-1,2-diol
CID 170829314
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
CID 131075568
3-[(1S)-1-amino-2,2-difluoroethyl]-4-bromophenol
CID 130988997
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride
CID 171247568
3-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride
CID 171240853
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanoic acid
CID 130706996
3-[(1S)-1-aminopentyl]-4-bromophenol
CID 171223086
3-[(1S)-1-amino-2-methylbutyl]-4-bromophenol
CID 131009992
3-[(1S)-1-amino-3-fluoropropyl]-4-bromophenol;hydrochloride
CID 171223095
ethyl 3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171867406

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol?
The IUPAC name of (1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol (CID 130649535) is (1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol.
What is the SMILES notation for (1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol?
The canonical SMILES for (1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol is OC[C@H](O)c1cc(O)ccc1Br.
What is the InChIKey of (1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol?
The InChIKey is JESNZYCVEWXSCU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9BrO3/c9-7-2-1-5(11)3-6(7)8(12)4-10/h1-3,8,10-12H,4H2/t8-/m0/s1.
What are the key properties of (1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol?
(1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol has a molecular weight of 233.06 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 130649535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).