3-bromo-6-chloro-2-(2-hydroxyethyl)phenol

C8H8BrClO2 — CID 168873996

IUPAC3-bromo-6-chloro-2-(2-hydroxyethyl)phenol
SMILESOCCc1c(Br)ccc(Cl)c1O
InChIInChI=1S/C8H8BrClO2/c9-6-1-2-7(10)8(12)5(6)3-4-11/h1-2,11-12H,3-4H2
InChIKeyQCINMIIIEKLBSG-UHFFFAOYSA-N
MW251.51 g/mol
LogP2.34
Rot. Bonds2

About 3-bromo-6-chloro-2-(2-hydroxyethyl)phenol

3-bromo-6-chloro-2-(2-hydroxyethyl)phenol (PubChem CID 168873996) has the molecular formula C8H8BrClO2 and a molecular weight of 251.51 g/mol. Its IUPAC name is 3-bromo-6-chloro-2-(2-hydroxyethyl)phenol.

Molecular Properties

Compound Name3-bromo-6-chloro-2-(2-hydroxyethyl)phenol
PubChem CID168873996
Molecular FormulaC8H8BrClO2
Molecular Weight251.51 g/mol
Exact Mass249.94
IUPAC Name3-bromo-6-chloro-2-(2-hydroxyethyl)phenol
SMILESOCCc1c(Br)ccc(Cl)c1O
InChIInChI=1S/C8H8BrClO2/c9-6-1-2-7(10)8(12)5(6)3-4-11/h1-2,11-12H,3-4H2
InChIKeyQCINMIIIEKLBSG-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-6-chloro-4-fluoro-2-prop-2-ynylphenol
CID 88196601
4-Bromo-2-chloro-6-prop-2-enylphenol
CID 54848779
4-Bromo-2-chloro-6-(2-hydroxyethyl)phenol
CID 71282630
4-Bromo-2-chloro-6-(3-hydroxypropyl)phenol
CID 71282829
2-Chloro-6-(2-hydroxyethyl)phenol
CID 83674423
4-Bromo-2-chloro-6-(1-hydroxyallyl)phenol
CID 90190141
2-Allyl-3-bromo-6-chlorophenol
CID 90190738
4-Bromo-2-chloro-6-(1,1-dideuterioprop-2-enyl)phenol
CID 90190832
4-Bromo-2-chloro-6-(2-hydroxypropyl)phenol
CID 117978977
3-Bromo-6-chloro-2-(2-oxiranylmethyl)phenol
CID 139328847
2-[(2-Bromo-4-methylphenyl)-hydroxymethyl]-6-chlorophenol
CID 146252135
2-(6-Bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
CID 146451496

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-2-(2-hydroxyethyl)phenol?
The IUPAC name of 3-bromo-6-chloro-2-(2-hydroxyethyl)phenol (CID 168873996) is 3-bromo-6-chloro-2-(2-hydroxyethyl)phenol.
What is the SMILES notation for 3-bromo-6-chloro-2-(2-hydroxyethyl)phenol?
The canonical SMILES for 3-bromo-6-chloro-2-(2-hydroxyethyl)phenol is OCCc1c(Br)ccc(Cl)c1O.
What is the InChIKey of 3-bromo-6-chloro-2-(2-hydroxyethyl)phenol?
The InChIKey is QCINMIIIEKLBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2/c9-6-1-2-7(10)8(12)5(6)3-4-11/h1-2,11-12H,3-4H2.
What are the key properties of 3-bromo-6-chloro-2-(2-hydroxyethyl)phenol?
3-bromo-6-chloro-2-(2-hydroxyethyl)phenol has a molecular weight of 251.51 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-2-(2-hydroxyethyl)phenol is sourced from PubChem (CID 168873996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).