3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate

C11H7O3- — CID 134099844

IUPAC3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate
SMILESO=C1C=C(O)C(c2ccccc2)=C1[O-]
InChIInChI=1S/C11H8O3/c12-8-6-9(13)11(14)10(8)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)/p-1
InChIKeyLSFRMWBHAIQGGY-UHFFFAOYSA-M
MW187.17 g/mol
LogP0.78
Rot. Bonds1

About 3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate

3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate (PubChem CID 134099844) has the molecular formula C11H7O3- and a molecular weight of 187.17 g/mol. Its IUPAC name is 3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate.

Molecular Properties

Compound Name3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate
PubChem CID134099844
Molecular FormulaC11H7O3-
Molecular Weight187.17 g/mol
Exact Mass187.04
IUPAC Name3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate
SMILESO=C1C=C(O)C(c2ccccc2)=C1[O-]
InChIInChI=1S/C11H8O3/c12-8-6-9(13)11(14)10(8)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)/p-1
InChIKeyLSFRMWBHAIQGGY-UHFFFAOYSA-M
XLogP0.78
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one
CID 14226957
2,3,4-triphenylcyclopenta-2,4-dien-1-one
CID 12722873
4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione
CID 51041684
2,5-dihydroxy-3-phenyl-6-(3,4,5-trihydroxyphenyl)cyclohexa-2,5-diene-1,4-dione
CID 135454817
2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide
CID 139747977
bis(1,1'-biphenyl);carbonate
CID 23514328
2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one
CID 11019840
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
3-bromo-2,5-diphenylcyclohexa-2,5-diene-1,4-dione
CID 150862590
2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione
CID 150421175
5-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one
CID 10125667
CID 175845631
CID 175845631

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate?
The IUPAC name of 3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate (CID 134099844) is 3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate.
What is the SMILES notation for 3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate?
The canonical SMILES for 3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate is O=C1C=C(O)C(c2ccccc2)=C1[O-].
What is the InChIKey of 3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate?
The InChIKey is LSFRMWBHAIQGGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8O3/c12-8-6-9(13)11(14)10(8)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)/p-1.
What are the key properties of 3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate?
3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate has a molecular weight of 187.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-oxo-2-phenylcyclopenta-1,3-dien-1-olate is sourced from PubChem (CID 134099844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).