3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol

C8H8Br2O3 — CID 11500585

IUPAC3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol
SMILESOCCc1cc(O)c(O)c(Br)c1Br
InChIInChI=1S/C8H8Br2O3/c9-6-4(1-2-11)3-5(12)8(13)7(6)10/h3,11-13H,1-2H2
InChIKeyHVSZPOZWYPXFAP-UHFFFAOYSA-N
MW311.96 g/mol
LogP2.16
Rot. Bonds2

About 3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol

3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol (PubChem CID 11500585) has the molecular formula C8H8Br2O3 and a molecular weight of 311.96 g/mol. Its IUPAC name is 3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol.

Molecular Properties

Compound Name3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol
PubChem CID11500585
Molecular FormulaC8H8Br2O3
Molecular Weight311.96 g/mol
Exact Mass309.88
IUPAC Name3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol
SMILESOCCc1cc(O)c(O)c(Br)c1Br
InChIInChI=1S/C8H8Br2O3/c9-6-4(1-2-11)3-5(12)8(13)7(6)10/h3,11-13H,1-2H2
InChIKeyHVSZPOZWYPXFAP-UHFFFAOYSA-N
XLogP2.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.96
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3,4-dibromo-5-[(2,3-dihydroxyphenyl)methyl]benzene-1,2-diol
CID 151978519
2-bromo-3-(2-hydroxyethyl)phenol
CID 141056029
3-bromo-5-fluoro-4-(3-hydroxypropyl)benzene-1,2-diol
CID 117416400
3,4-dibromo-5-[[2,4-dihydroxy-6-(hydroxymethyl)-3-methoxyphenyl]methyl]benzene-1,2-diol
CID 11293865
2-bromo-4-chloro-6-(2-hydroxyethyl)phenol
CID 25225387
3,4-dibromo-5-methylbenzene-1,2-diol
CID 54013220
2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol
CID 141473932
3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol
CID 3081007
3,4-dibromo-5-[[2-bromo-3,4-dihydroxy-6-(propoxymethyl)phenyl]methyl]benzene-1,2-diol
CID 53371735
5-(2-aminoethyl)benzene-1,2,3,4-tetrol
CID 71395914
2,3-dibromo-4,5-dihydroxybenzaldehyde
CID 11346984

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol?
The IUPAC name of 3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol (CID 11500585) is 3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol.
What is the SMILES notation for 3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol?
The canonical SMILES for 3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol is OCCc1cc(O)c(O)c(Br)c1Br.
What is the InChIKey of 3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol?
The InChIKey is HVSZPOZWYPXFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O3/c9-6-4(1-2-11)3-5(12)8(13)7(6)10/h3,11-13H,1-2H2.
What are the key properties of 3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol?
3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol has a molecular weight of 311.96 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-5-(2-hydroxyethyl)benzene-1,2-diol is sourced from PubChem (CID 11500585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).