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

C8H8BrClO2 — CID 71282630

IUPAC4-bromo-2-chloro-6-(2-hydroxyethyl)phenol
SMILESOCCc1cc(Br)cc(Cl)c1O
InChIInChI=1S/C8H8BrClO2/c9-6-3-5(1-2-11)8(12)7(10)4-6/h3-4,11-12H,1-2H2
InChIKeyOCQXULTVCAVLDV-UHFFFAOYSA-N
MW251.51 g/mol
LogP2.34
Rot. Bonds2

About 4-bromo-2-chloro-6-(2-hydroxyethyl)phenol

4-bromo-2-chloro-6-(2-hydroxyethyl)phenol (PubChem CID 71282630) has the molecular formula C8H8BrClO2 and a molecular weight of 251.51 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-(2-hydroxyethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-6-(2-hydroxyethyl)phenol
PubChem CID71282630
Molecular FormulaC8H8BrClO2
Molecular Weight251.51 g/mol
Exact Mass249.94
IUPAC Name4-bromo-2-chloro-6-(2-hydroxyethyl)phenol
SMILESOCCc1cc(Br)cc(Cl)c1O
InChIInChI=1S/C8H8BrClO2/c9-6-3-5(1-2-11)8(12)7(10)4-6/h3-4,11-12H,1-2H2
InChIKeyOCQXULTVCAVLDV-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-(2-hydroxyethyl)phenol?
The IUPAC name of 4-bromo-2-chloro-6-(2-hydroxyethyl)phenol (CID 71282630) is 4-bromo-2-chloro-6-(2-hydroxyethyl)phenol.
What is the SMILES notation for 4-bromo-2-chloro-6-(2-hydroxyethyl)phenol?
The canonical SMILES for 4-bromo-2-chloro-6-(2-hydroxyethyl)phenol is OCCc1cc(Br)cc(Cl)c1O.
What is the InChIKey of 4-bromo-2-chloro-6-(2-hydroxyethyl)phenol?
The InChIKey is OCQXULTVCAVLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2/c9-6-3-5(1-2-11)8(12)7(10)4-6/h3-4,11-12H,1-2H2.
What are the key properties of 4-bromo-2-chloro-6-(2-hydroxyethyl)phenol?
4-bromo-2-chloro-6-(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 4-bromo-2-chloro-6-(2-hydroxyethyl)phenol is sourced from PubChem (CID 71282630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).