3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal

C10H10Br2O3 — CID 10969787

IUPAC3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal
SMILESCC(C=O)Cc1cc(O)c(O)c(Br)c1Br
InChIInChI=1S/C10H10Br2O3/c1-5(4-13)2-6-3-7(14)10(15)9(12)8(6)11/h3-5,14-15H,2H2,1H3
InChIKeySOFAADXWRQBUDW-UHFFFAOYSA-N
MW338.00 g/mol
LogP3.00
Rot. Bonds3

About 3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal

3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal (PubChem CID 10969787) has the molecular formula C10H10Br2O3 and a molecular weight of 338.00 g/mol. Its IUPAC name is 3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal.

Molecular Properties

Compound Name3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal
PubChem CID10969787
Molecular FormulaC10H10Br2O3
Molecular Weight338.00 g/mol
Exact Mass335.90
IUPAC Name3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal
SMILESCC(C=O)Cc1cc(O)c(O)c(Br)c1Br
InChIInChI=1S/C10H10Br2O3/c1-5(4-13)2-6-3-7(14)10(15)9(12)8(6)11/h3-5,14-15H,2H2,1H3
InChIKeySOFAADXWRQBUDW-UHFFFAOYSA-N
XLogP3.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dibromo-5-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]benzene-1,2-diol
CID 11455599
Symphyoketone
CID 10366827
2,3-Dibromo-4,5-dihydroxylbenzophenone
CID 46911010
2-(2,3-Dibromo-4,5-dihydroxyphenyl)ethyl hydrogen sulfate
CID 11502039
3,4-Dibromo-5-(hydroxymethyl)-1,2-benzenediol
CID 78659
3,4-Dibromo-5-(methoxymethyl)benzene-1,2-diol
CID 316020
2,3-Dibromo-4,5-Dihydroxybenzaldehyde
CID 11346984
3,4-Dibromo-5-[2-(2-bromo-4,5-dihydroxy-phenyl)ethyl]benzene-1,2-diol
CID 52945885
(3-Bromo-4,5-dihydroxyphenyl)(2,3-dibromo-4,5-dihydroxyphenyl)methanone
CID 50899659
Nhuwnfddclzkpa-nscuhmnnsa-
CID 11232963
2,3-Dibromo-4,5-Dihydroxyphenylethanol
CID 11500585
5-Benzyl-3,4-dibromobenzene-1,2-diol
CID 44632492

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal?
The IUPAC name of 3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal (CID 10969787) is 3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal.
What is the SMILES notation for 3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal?
The canonical SMILES for 3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal is CC(C=O)Cc1cc(O)c(O)c(Br)c1Br.
What is the InChIKey of 3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal?
The InChIKey is SOFAADXWRQBUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O3/c1-5(4-13)2-6-3-7(14)10(15)9(12)8(6)11/h3-5,14-15H,2H2,1H3.
What are the key properties of 3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal?
3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal has a molecular weight of 338.00 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-methylpropanal is sourced from PubChem (CID 10969787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).