1-(4-hydroxyphenyl)pentane-1,2-dione

C11H12O3 — CID 125478605

IUPAC1-(4-hydroxyphenyl)pentane-1,2-dione
SMILESCCCC(=O)C(=O)c1ccc(O)cc1
InChIInChI=1S/C11H12O3/c1-2-3-10(13)11(14)8-4-6-9(12)7-5-8/h4-7,12H,2-3H2,1H3
InChIKeyOUBZZGVAAZCDQQ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.94
Rot. Bonds4

About 1-(4-hydroxyphenyl)pentane-1,2-dione

1-(4-hydroxyphenyl)pentane-1,2-dione (PubChem CID 125478605) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)pentane-1,2-dione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)pentane-1,2-dione
PubChem CID125478605
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name1-(4-hydroxyphenyl)pentane-1,2-dione
SMILESCCCC(=O)C(=O)c1ccc(O)cc1
InChIInChI=1S/C11H12O3/c1-2-3-10(13)11(14)8-4-6-9(12)7-5-8/h4-7,12H,2-3H2,1H3
InChIKeyOUBZZGVAAZCDQQ-UHFFFAOYSA-N
XLogP1.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1-hydroxyethyl)phenyl]pentane-1,2-dione
CID 90749166
butane;1-(4-hydroxyphenyl)ethanone
CID 142352310
ethyl 2-(4-hydroxyphenyl)-2-oxoacetate
CID 11715332
1-(4-methoxyphenyl)hexane-1,2-dione
CID 122382011
1-(4-hydroxy-3,5-dimethoxyphenyl)pentane-1,2-dione
CID 134612547
1-(4-hydroxyphenyl)butan-1-one;trifluoromethanesulfonic acid
CID 157338207
1-(4-iodophenyl)butane-1,2-dione
CID 69189379
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
butane;(4-hydroxyphenyl)-phenylmethanone
CID 70634619
1-[4-[4-(2-oxobutanoyl)phenyl]sulfanylphenyl]butane-1,2-dione
CID 150765357

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)pentane-1,2-dione?
The IUPAC name of 1-(4-hydroxyphenyl)pentane-1,2-dione (CID 125478605) is 1-(4-hydroxyphenyl)pentane-1,2-dione.
What is the SMILES notation for 1-(4-hydroxyphenyl)pentane-1,2-dione?
The canonical SMILES for 1-(4-hydroxyphenyl)pentane-1,2-dione is CCCC(=O)C(=O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)pentane-1,2-dione?
The InChIKey is OUBZZGVAAZCDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-3-10(13)11(14)8-4-6-9(12)7-5-8/h4-7,12H,2-3H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)pentane-1,2-dione?
1-(4-hydroxyphenyl)pentane-1,2-dione has a molecular weight of 192.21 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)pentane-1,2-dione is sourced from PubChem (CID 125478605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).