2-bromo-3-[(1R)-1-hydroxyethyl]phenol

C8H9BrO2 — CID 118486754

IUPAC2-bromo-3-[(1R)-1-hydroxyethyl]phenol
SMILESC[C@@H](O)c1cccc(O)c1Br
InChIInChI=1S/C8H9BrO2/c1-5(10)6-3-2-4-7(11)8(6)9/h2-5,10-11H,1H3/t5-/m1/s1
InChIKeyVXOAXRBKQKKHCH-RXMQYKEDSA-N
MW217.06 g/mol
LogP2.21
Rot. Bonds1

About 2-bromo-3-[(1R)-1-hydroxyethyl]phenol

2-bromo-3-[(1R)-1-hydroxyethyl]phenol (PubChem CID 118486754) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is 2-bromo-3-[(1R)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name2-bromo-3-[(1R)-1-hydroxyethyl]phenol
PubChem CID118486754
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name2-bromo-3-[(1R)-1-hydroxyethyl]phenol
SMILESC[C@@H](O)c1cccc(O)c1Br
InChIInChI=1S/C8H9BrO2/c1-5(10)6-3-2-4-7(11)8(6)9/h2-5,10-11H,1H3/t5-/m1/s1
InChIKeyVXOAXRBKQKKHCH-RXMQYKEDSA-N
XLogP2.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-propan-2-ylphenol
CID 23114133
2-amino-3-(1-hydroxyethyl)phenol
CID 21298381
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
3-(2-bromo-3-hydroxyphenyl)-2,3-dihydroxypropanenitrile
CID 171871540
2-bromo-3-(1-hydroxyethyl)-6-methylphenol
CID 117333512
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
3-[(1S)-1-aminoprop-2-enyl]-2-bromophenol
CID 130682320
1-(2,3-diaminophenyl)ethanol
CID 18668016
2-bromo-6-propan-2-ylphenol
CID 14663965
1-(2,6-dibromophenyl)ethanol
CID 117104086
3-amino-3-(2-bromo-3-hydroxyphenyl)propanoic acid
CID 130041935

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[(1R)-1-hydroxyethyl]phenol?
The IUPAC name of 2-bromo-3-[(1R)-1-hydroxyethyl]phenol (CID 118486754) is 2-bromo-3-[(1R)-1-hydroxyethyl]phenol.
What is the SMILES notation for 2-bromo-3-[(1R)-1-hydroxyethyl]phenol?
The canonical SMILES for 2-bromo-3-[(1R)-1-hydroxyethyl]phenol is C[C@@H](O)c1cccc(O)c1Br.
What is the InChIKey of 2-bromo-3-[(1R)-1-hydroxyethyl]phenol?
The InChIKey is VXOAXRBKQKKHCH-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9BrO2/c1-5(10)6-3-2-4-7(11)8(6)9/h2-5,10-11H,1H3/t5-/m1/s1.
What are the key properties of 2-bromo-3-[(1R)-1-hydroxyethyl]phenol?
2-bromo-3-[(1R)-1-hydroxyethyl]phenol has a molecular weight of 217.06 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[(1R)-1-hydroxyethyl]phenol is sourced from PubChem (CID 118486754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).