1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione

C18H16O3 — CID 139809678

IUPAC1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione
SMILESC=CCc1cc(O)ccc1C(=O)CC(=O)c1ccccc1
InChIInChI=1S/C18H16O3/c1-2-6-14-11-15(19)9-10-16(14)18(21)12-17(20)13-7-4-3-5-8-13/h2-5,7-11,19H,1,6,12H2
InChIKeyKPAJVBVJSYDGSH-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.58
Rot. Bonds6

About 1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione

1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione (PubChem CID 139809678) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione
PubChem CID139809678
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione
SMILESC=CCc1cc(O)ccc1C(=O)CC(=O)c1ccccc1
InChIInChI=1S/C18H16O3/c1-2-6-14-11-15(19)9-10-16(14)18(21)12-17(20)13-7-4-3-5-8-13/h2-5,7-11,19H,1,6,12H2
InChIKeyKPAJVBVJSYDGSH-UHFFFAOYSA-N
XLogP3.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-hydroxy-2-prop-2-enylbenzoate
CID 175570133
phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535
2-(3-hydroxy-4-prop-2-enylbenzoyl)benzoic acid
CID 67766519
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
2-prop-2-enylbenzoic acid
CID 2752991
2-(2,4-dihydroxyphenyl)-1-phenylethanone
CID 15669269
1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione
CID 67570155
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 11414548
4-bromo-3-prop-2-enylphenol
CID 59860912
4-chloro-3-prop-2-enylphenol
CID 67612288

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione (CID 139809678) is 1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione is C=CCc1cc(O)ccc1C(=O)CC(=O)c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione?
The InChIKey is KPAJVBVJSYDGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-2-6-14-11-15(19)9-10-16(14)18(21)12-17(20)13-7-4-3-5-8-13/h2-5,7-11,19H,1,6,12H2.
What are the key properties of 1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione?
1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione has a molecular weight of 280.32 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 139809678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).