1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione

C17H14O4 — CID 10107801

IUPAC1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
SMILESCC(=O)c1ccc(O)c(C(=O)CC(=O)c2ccccc2)c1
InChIInChI=1S/C17H14O4/c1-11(18)13-7-8-15(19)14(9-13)17(21)10-16(20)12-5-3-2-4-6-12/h2-9,19H,10H2,1H3
InChIKeyVPEPFIKGIUKBFV-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.05
Rot. Bonds5

About 1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione

1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione (PubChem CID 10107801) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
PubChem CID10107801
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
SMILESCC(=O)c1ccc(O)c(C(=O)CC(=O)c2ccccc2)c1
InChIInChI=1S/C17H14O4/c1-11(18)13-7-8-15(19)14(9-13)17(21)10-16(20)12-5-3-2-4-6-12/h2-9,19H,10H2,1H3
InChIKeyVPEPFIKGIUKBFV-UHFFFAOYSA-N
XLogP3.05
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
CID 11747586
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535
1-(4-tert-butylphenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
CID 776153
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
1-(3,4-dibenzoylphenyl)ethanone
CID 122398532
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
[2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate
CID 57070632
erbium;1-phenylbutane-1,3-dione
CID 175058632
1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione
CID 67570155
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 11414548
1-(4-tert-butylphenyl)-3-(2-hydroxy-5-methoxyphenyl)propane-1,3-dione
CID 877592

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione (CID 10107801) is 1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione is CC(=O)c1ccc(O)c(C(=O)CC(=O)c2ccccc2)c1.
What is the InChIKey of 1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione?
The InChIKey is VPEPFIKGIUKBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-11(18)13-7-8-15(19)14(9-13)17(21)10-16(20)12-5-3-2-4-6-12/h2-9,19H,10H2,1H3.
What are the key properties of 1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione?
1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione has a molecular weight of 282.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 10107801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).