(2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate

C14H12O5 — CID 153394937

IUPAC(2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate
SMILESC=CC(=O)OC(OC(=O)C=C)C(=O)c1ccccc1
InChIInChI=1S/C14H12O5/c1-3-11(15)18-14(19-12(16)4-2)13(17)10-8-6-5-7-9-10/h3-9,14H,1-2H2
InChIKeyZQJORJBEESSKIH-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.65
Rot. Bonds6

About (2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate

(2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate (PubChem CID 153394937) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate.

Molecular Properties

Compound Name(2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate
PubChem CID153394937
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name(2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate
SMILESC=CC(=O)OC(OC(=O)C=C)C(=O)c1ccccc1
InChIInChI=1S/C14H12O5/c1-3-11(15)18-14(19-12(16)4-2)13(17)10-8-6-5-7-9-10/h3-9,14H,1-2H2
InChIKeyZQJORJBEESSKIH-UHFFFAOYSA-N
XLogP1.65
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-phenylethyl prop-2-enoate
CID 175321764
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
benzoic acid;(2-hydroxyphenyl) prop-2-enoate
CID 174625141
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
[1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate
CID 67527646
2-(1-prop-2-enoyloxyethoxy)benzoic acid
CID 18934237
(1-hydroxy-2-phenoxyethyl) prop-2-enoate
CID 66615997
[2-oxo-2-phenyl-1-(4-propan-2-ylbenzoyl)oxyethyl] 4-propan-2-ylbenzoate
CID 175385825
[methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid
CID 159520635
1-(2-hydroxyphenoxy)ethyl prop-2-enoate
CID 18934210
methyl prop-2-enoate;prop-1-en-2-ylbenzene
CID 18185793
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate?
The IUPAC name of (2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate (CID 153394937) is (2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate.
What is the SMILES notation for (2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate?
The canonical SMILES for (2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate is C=CC(=O)OC(OC(=O)C=C)C(=O)c1ccccc1.
What is the InChIKey of (2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate?
The InChIKey is ZQJORJBEESSKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-3-11(15)18-14(19-12(16)4-2)13(17)10-8-6-5-7-9-10/h3-9,14H,1-2H2.
What are the key properties of (2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate?
(2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate has a molecular weight of 260.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate is sourced from PubChem (CID 153394937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).