(2-prop-2-enylphenyl) 2-oxoacetate

C11H10O3 — CID 87234163

IUPAC(2-prop-2-enylphenyl) 2-oxoacetate
SMILESC=CCc1ccccc1OC(=O)C=O
InChIInChI=1S/C11H10O3/c1-2-5-9-6-3-4-7-10(9)14-11(13)8-12/h2-4,6-8H,1,5H2
InChIKeyHIOCTYXFYUXGCY-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.52
Rot. Bonds4

About (2-prop-2-enylphenyl) 2-oxoacetate

(2-prop-2-enylphenyl) 2-oxoacetate (PubChem CID 87234163) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2-prop-2-enylphenyl) 2-oxoacetate.

Molecular Properties

Compound Name(2-prop-2-enylphenyl) 2-oxoacetate
PubChem CID87234163
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(2-prop-2-enylphenyl) 2-oxoacetate
SMILESC=CCc1ccccc1OC(=O)C=O
InChIInChI=1S/C11H10O3/c1-2-5-9-6-3-4-7-10(9)14-11(13)8-12/h2-4,6-8H,1,5H2
InChIKeyHIOCTYXFYUXGCY-UHFFFAOYSA-N
XLogP1.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
(2-prop-2-enoylphenyl) 2-oxoacetate
CID 87741605
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
bis(2-prop-2-enylphenyl) hydrogen phosphate
CID 68656699
bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate
CID 147077770
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
ethenyl-(2-prop-2-enylphenoxy)phosphinic acid
CID 87155476
1-(2-prop-2-enylphenoxy)pentan-2-one
CID 62044058
(3R)-3-(2-prop-2-enylphenoxy)butanoic acid
CID 103547954
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
CID 68914261
[2-(methylaminomethyl)phenyl] prop-2-enoate
CID 175008557
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-enylphenyl) 2-oxoacetate?
The IUPAC name of (2-prop-2-enylphenyl) 2-oxoacetate (CID 87234163) is (2-prop-2-enylphenyl) 2-oxoacetate.
What is the SMILES notation for (2-prop-2-enylphenyl) 2-oxoacetate?
The canonical SMILES for (2-prop-2-enylphenyl) 2-oxoacetate is C=CCc1ccccc1OC(=O)C=O.
What is the InChIKey of (2-prop-2-enylphenyl) 2-oxoacetate?
The InChIKey is HIOCTYXFYUXGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-2-5-9-6-3-4-7-10(9)14-11(13)8-12/h2-4,6-8H,1,5H2.
What are the key properties of (2-prop-2-enylphenyl) 2-oxoacetate?
(2-prop-2-enylphenyl) 2-oxoacetate has a molecular weight of 190.20 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enylphenyl) 2-oxoacetate is sourced from PubChem (CID 87234163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).