4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol

C8H9Br2NO2 — CID 19767394

IUPAC4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol
SMILESCC(O)c1c(N)cc(Br)c(O)c1Br
InChIInChI=1S/C8H9Br2NO2/c1-3(12)6-5(11)2-4(9)8(13)7(6)10/h2-3,12-13H,11H2,1H3
InChIKeyXVCFQJDJQQTKQO-UHFFFAOYSA-N
MW310.97 g/mol
LogP2.55
Rot. Bonds1

About 4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol

4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol (PubChem CID 19767394) has the molecular formula C8H9Br2NO2 and a molecular weight of 310.97 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol
PubChem CID19767394
Molecular FormulaC8H9Br2NO2
Molecular Weight310.97 g/mol
Exact Mass308.90
IUPAC Name4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol
SMILESCC(O)c1c(N)cc(Br)c(O)c1Br
InChIInChI=1S/C8H9Br2NO2/c1-3(12)6-5(11)2-4(9)8(13)7(6)10/h2-3,12-13H,11H2,1H3
InChIKeyXVCFQJDJQQTKQO-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.97
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol?
The IUPAC name of 4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol (CID 19767394) is 4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol.
What is the SMILES notation for 4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol?
The canonical SMILES for 4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol is CC(O)c1c(N)cc(Br)c(O)c1Br.
What is the InChIKey of 4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol?
The InChIKey is XVCFQJDJQQTKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO2/c1-3(12)6-5(11)2-4(9)8(13)7(6)10/h2-3,12-13H,11H2,1H3.
What are the key properties of 4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol?
4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol has a molecular weight of 310.97 g/mol, XLogP of 2.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol is sourced from PubChem (CID 19767394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).