2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one

C11H9BrO3 — CID 90807164

IUPAC2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one
SMILESO=C1CCC(c2cc(O)ccc2O)=C1Br
InChIInChI=1S/C11H9BrO3/c12-11-7(2-4-10(11)15)8-5-6(13)1-3-9(8)14/h1,3,5,13-14H,2,4H2
InChIKeyFAJXZRHKKWAGKC-UHFFFAOYSA-N
MW269.09 g/mol
LogP2.57
Rot. Bonds1

About 2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one

2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one (PubChem CID 90807164) has the molecular formula C11H9BrO3 and a molecular weight of 269.09 g/mol. Its IUPAC name is 2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one
PubChem CID90807164
Molecular FormulaC11H9BrO3
Molecular Weight269.09 g/mol
Exact Mass267.97
IUPAC Name2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one
SMILESO=C1CCC(c2cc(O)ccc2O)=C1Br
InChIInChI=1S/C11H9BrO3/c12-11-7(2-4-10(11)15)8-5-6(13)1-3-9(8)14/h1,3,5,13-14H,2,4H2
InChIKeyFAJXZRHKKWAGKC-UHFFFAOYSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135990622
5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione
CID 167616172
2-[4-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol
CID 71015748
2-(4-hydroxyphenyl)benzene-1,4-diol
CID 15793198
3-bromo-6-hydroxyphenanthrene-9,10-dione
CID 67151152
ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 54451343
4-bromo-2-(2-hydroxyphenyl)phenol
CID 11219298
1-bromo-7-hydroxy-3a-methyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one
CID 10108425
2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 11959102
7-bromo-4-hydroxy-2,3-dihydroinden-1-one
CID 20545961
2,5-dihydroxyindene-1,3-dione
CID 139638002
2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol
CID 71221540

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one?
The IUPAC name of 2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one (CID 90807164) is 2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one is O=C1CCC(c2cc(O)ccc2O)=C1Br.
What is the InChIKey of 2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one?
The InChIKey is FAJXZRHKKWAGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO3/c12-11-7(2-4-10(11)15)8-5-6(13)1-3-9(8)14/h1,3,5,13-14H,2,4H2.
What are the key properties of 2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one?
2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one has a molecular weight of 269.09 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2,5-dihydroxyphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 90807164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).