(4-ethenylphenyl) 2-oxopropanoate

C11H10O3 — CID 67863949

IUPAC(4-ethenylphenyl) 2-oxopropanoate
SMILESC=Cc1ccc(OC(=O)C(C)=O)cc1
InChIInChI=1S/C11H10O3/c1-3-9-4-6-10(7-5-9)14-11(13)8(2)12/h3-7H,1H2,2H3
InChIKeyYRDYNFMQISJUNN-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.82
Rot. Bonds3

About (4-ethenylphenyl) 2-oxopropanoate

(4-ethenylphenyl) 2-oxopropanoate (PubChem CID 67863949) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (4-ethenylphenyl) 2-oxopropanoate.

Molecular Properties

Compound Name(4-ethenylphenyl) 2-oxopropanoate
PubChem CID67863949
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(4-ethenylphenyl) 2-oxopropanoate
SMILESC=Cc1ccc(OC(=O)C(C)=O)cc1
InChIInChI=1S/C11H10O3/c1-3-9-4-6-10(7-5-9)14-11(13)8(2)12/h3-7H,1H2,2H3
InChIKeyYRDYNFMQISJUNN-UHFFFAOYSA-N
XLogP1.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
(4-ethenylphenyl) acetate;oxophosphane
CID 175041738
(4-ethenylphenyl) acetate;oxirane
CID 158488844
(4-hydroxyphenyl) 2-oxopropanoate
CID 22601056
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
(4-ethenylphenyl) 4-oxopentanoate
CID 59301728
(4-chlorophenyl) 2-oxopropanoate
CID 22420053
4-(4-ethenylphenoxy)-4-oxobut-2-enoic acid
CID 68934918
(Z)-4-(4-ethenylphenoxy)-4-oxobut-2-enoic acid
CID 68934916
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660
[4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate
CID 73426848
ethane;(4-ethenylphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 144902381

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl) 2-oxopropanoate?
The IUPAC name of (4-ethenylphenyl) 2-oxopropanoate (CID 67863949) is (4-ethenylphenyl) 2-oxopropanoate.
What is the SMILES notation for (4-ethenylphenyl) 2-oxopropanoate?
The canonical SMILES for (4-ethenylphenyl) 2-oxopropanoate is C=Cc1ccc(OC(=O)C(C)=O)cc1.
What is the InChIKey of (4-ethenylphenyl) 2-oxopropanoate?
The InChIKey is YRDYNFMQISJUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-3-9-4-6-10(7-5-9)14-11(13)8(2)12/h3-7H,1H2,2H3.
What are the key properties of (4-ethenylphenyl) 2-oxopropanoate?
(4-ethenylphenyl) 2-oxopropanoate has a molecular weight of 190.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl) 2-oxopropanoate is sourced from PubChem (CID 67863949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).