[2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate

C14H16O4 — CID 51033135

IUPAC[2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate
SMILESC=CCOc1ccccc1C(OC(C)=O)C(C)=O
InChIInChI=1S/C14H16O4/c1-4-9-17-13-8-6-5-7-12(13)14(10(2)15)18-11(3)16/h4-8,14H,1,9H2,2-3H3
InChIKeyQZVVFYUSUKUVKZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.44
Rot. Bonds6

About [2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate

[2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate (PubChem CID 51033135) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is [2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate.

Molecular Properties

Compound Name[2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate
PubChem CID51033135
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name[2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate
SMILESC=CCOc1ccccc1C(OC(C)=O)C(C)=O
InChIInChI=1S/C14H16O4/c1-4-9-17-13-8-6-5-7-12(13)14(10(2)15)18-11(3)16/h4-8,14H,1,9H2,2-3H3
InChIKeyQZVVFYUSUKUVKZ-UHFFFAOYSA-N
XLogP2.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.44
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

[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] acetate
CID 10425337
(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
CID 137320021
1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol
CID 170819149
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol
CID 102215116
[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate
CID 101384633
tert-butyl N-[2,3-dihydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamate
CID 170833441
CID 70191473
CID 70191473
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
(2-prop-2-enoxyphenyl) N-methylcarbamate
CID 19983
methyl (3R)-4,4-bis(benzenesulfonyl)-2-methylidene-3-(2-prop-2-enoxyphenyl)butanoate
CID 56653945

Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate?
The IUPAC name of [2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate (CID 51033135) is [2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate.
What is the SMILES notation for [2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate?
The canonical SMILES for [2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate is C=CCOc1ccccc1C(OC(C)=O)C(C)=O.
What is the InChIKey of [2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate?
The InChIKey is QZVVFYUSUKUVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-4-9-17-13-8-6-5-7-12(13)14(10(2)15)18-11(3)16/h4-8,14H,1,9H2,2-3H3.
What are the key properties of [2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate?
[2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate has a molecular weight of 248.28 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate is sourced from PubChem (CID 51033135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).