1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione

C17H14O3 — CID 67570155

IUPAC1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione
SMILESC=Cc1cc(C(=O)CC(=O)c2ccccc2)ccc1O
InChIInChI=1S/C17H14O3/c1-2-12-10-14(8-9-15(12)18)17(20)11-16(19)13-6-4-3-5-7-13/h2-10,18H,1,11H2
InChIKeyYCIKDCHQVFEZSQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.49
Rot. Bonds5

About 1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione

1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione (PubChem CID 67570155) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione
PubChem CID67570155
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione
SMILESC=Cc1cc(C(=O)CC(=O)c2ccccc2)ccc1O
InChIInChI=1S/C17H14O3/c1-2-12-10-14(8-9-15(12)18)17(20)11-16(19)13-6-4-3-5-7-13/h2-10,18H,1,11H2
InChIKeyYCIKDCHQVFEZSQ-UHFFFAOYSA-N
XLogP3.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.49
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

1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
CID 10107801
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535
benzoyl benzenecarboperoxoate;2-ethenylphenol
CID 174484320
2-ethenylphenol
CID 161061609
1-(3,4-dihydroxyphenyl)-2-(1-phenylbut-3-enylamino)ethanone
CID 70613604
(3-oxo-3-phenylpropanoyl) 3-oxo-3-phenylpropanoate
CID 87499200
2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol
CID 139760597
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione
CID 139809678
cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)
CID 175080767

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione (CID 67570155) is 1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione is C=Cc1cc(C(=O)CC(=O)c2ccccc2)ccc1O.
What is the InChIKey of 1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione?
The InChIKey is YCIKDCHQVFEZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-2-12-10-14(8-9-15(12)18)17(20)11-16(19)13-6-4-3-5-7-13/h2-10,18H,1,11H2.
What are the key properties of 1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione?
1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione has a molecular weight of 266.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenyl-4-hydroxyphenyl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 67570155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).