2-(4-hydroxyphenyl)cyclopentane-1,3-dione

C11H10O3 — CID 163536929

IUPAC2-(4-hydroxyphenyl)cyclopentane-1,3-dione
SMILESO=C1CCC(=O)C1c1ccc(O)cc1
InChIInChI=1S/C11H10O3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-4,11-12H,5-6H2
InChIKeyDXUHSZSIYODSAR-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.41
Rot. Bonds1

About 2-(4-hydroxyphenyl)cyclopentane-1,3-dione

2-(4-hydroxyphenyl)cyclopentane-1,3-dione (PubChem CID 163536929) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)cyclopentane-1,3-dione
PubChem CID163536929
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-(4-hydroxyphenyl)cyclopentane-1,3-dione
SMILESO=C1CCC(=O)C1c1ccc(O)cc1
InChIInChI=1S/C11H10O3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-4,11-12H,5-6H2
InChIKeyDXUHSZSIYODSAR-UHFFFAOYSA-N
XLogP1.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione
CID 91446526
2-(4-tert-butylphenyl)cyclopentane-1,3-dione
CID 11085593
2-(4-hydroxyphenyl)cyclohexan-1-one
CID 14548752
1,4-bis(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
CID 163038939
9-(4-hydroxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 704566
sodium 4-(2,5-dioxocyclopentyl)benzenesulfonate
CID 56686153
9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 704550
2-(4-hydroxyphenyl)-1-methylpiperidin-3-one
CID 105457351
4-(1,3-dioxetan-2-yl)phenol
CID 57167752
5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one
CID 141374668
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
(4R)-4-(4-hydroxyphenyl)cyclopent-2-en-1-one
CID 134966917

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)cyclopentane-1,3-dione?
The IUPAC name of 2-(4-hydroxyphenyl)cyclopentane-1,3-dione (CID 163536929) is 2-(4-hydroxyphenyl)cyclopentane-1,3-dione.
What is the SMILES notation for 2-(4-hydroxyphenyl)cyclopentane-1,3-dione?
The canonical SMILES for 2-(4-hydroxyphenyl)cyclopentane-1,3-dione is O=C1CCC(=O)C1c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)cyclopentane-1,3-dione?
The InChIKey is DXUHSZSIYODSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-4,11-12H,5-6H2.
What are the key properties of 2-(4-hydroxyphenyl)cyclopentane-1,3-dione?
2-(4-hydroxyphenyl)cyclopentane-1,3-dione has a molecular weight of 190.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)cyclopentane-1,3-dione is sourced from PubChem (CID 163536929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).