(1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate

C19H18O4 — CID 55569795

IUPAC(1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(C(=O)OC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H18O4/c1-3-13-22-17-11-9-16(10-12-17)19(21)23-14(2)18(20)15-7-5-4-6-8-15/h3-12,14H,1,13H2,2H3
InChIKeyREYAGPUPPWXRDG-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.68
Rot. Bonds7

About (1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate

(1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate (PubChem CID 55569795) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate
PubChem CID55569795
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(C(=O)OC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H18O4/c1-3-13-22-17-11-9-16(10-12-17)19(21)23-14(2)18(20)15-7-5-4-6-8-15/h3-12,14H,1,13H2,2H3
InChIKeyREYAGPUPPWXRDG-UHFFFAOYSA-N
XLogP3.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606590
[1-oxo-1-(4-prop-2-enoxyphenyl)propan-2-yl] 4-(4-octoxyphenyl)benzoate
CID 19810151
[(2S)-1-oxo-1-phenylpropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate
CID 42040137
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 7222135
2-butyl-1-phenyl-3-(4-prop-2-enoxyphenyl)propane-1,3-dione
CID 142717062
[1-oxo-1-(4-prop-2-enoxyphenyl)propan-2-yl] 4-(4-pentylcyclohexyl)benzoate
CID 19810146
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
CID 4982210
(1-oxo-1-phenylpropan-2-yl) 3,4-difluorobenzoate
CID 55375913
(1-oxo-1-phenylpropan-2-yl) 4-(difluoromethylsulfonyl)benzoate
CID 16577929
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate (CID 55569795) is (1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate is C=CCOc1ccc(C(=O)OC(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate?
The InChIKey is REYAGPUPPWXRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-3-13-22-17-11-9-16(10-12-17)19(21)23-14(2)18(20)15-7-5-4-6-8-15/h3-12,14H,1,13H2,2H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate?
(1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate has a molecular weight of 310.35 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 4-prop-2-enoxybenzoate is sourced from PubChem (CID 55569795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).