[2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate

C15H12O6 — CID 3549014

IUPAC[2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCC(=O)Oc1ccc(C(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C15H12O6/c1-10(16)21-12-6-4-11(5-7-12)13(17)9-20-15(18)14-3-2-8-19-14/h2-8H,9H2,1H3
InChIKeyONJHQGACVSBGSK-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.24
Rot. Bonds5

About [2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate

[2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate (PubChem CID 3549014) has the molecular formula C15H12O6 and a molecular weight of 288.26 g/mol. Its IUPAC name is [2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate
PubChem CID3549014
Molecular FormulaC15H12O6
Molecular Weight288.26 g/mol
Exact Mass288.06
IUPAC Name[2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCC(=O)Oc1ccc(C(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C15H12O6/c1-10(16)21-12-6-4-11(5-7-12)13(17)9-20-15(18)14-3-2-8-19-14/h2-8H,9H2,1H3
InChIKeyONJHQGACVSBGSK-UHFFFAOYSA-N
XLogP2.24
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate
CID 1218467
[2-(4-acetyloxyphenyl)-2-oxoethyl] benzoate
CID 4569147
[4-[2-(4-nitrobenzoyl)oxyacetyl]phenyl] furan-2-carboxylate
CID 5219766
[2-(4-acetyloxyphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 3298622
[4-[2-[3-(1,3-dioxoisoindol-2-yl)propanoyloxy]acetyl]phenyl] furan-2-carboxylate
CID 3989332
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 2456748
[4-[2-[5-(3-acetylanilino)-5-oxopentanoyl]oxyacetyl]phenyl] furan-2-carboxylate
CID 3724475
(4-pentoxycarbonylphenyl) furan-2-carboxylate
CID 4024442
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
[4-[2-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetyl]oxyacetyl]phenyl] furan-2-carboxylate
CID 19645646
benzyl 4-acetyloxybenzoate
CID 734064
[2-[4-(furan-2-carbonyloxy)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 3404865

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate (CID 3549014) is [2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate is CC(=O)Oc1ccc(C(=O)COC(=O)c2ccco2)cc1.
What is the InChIKey of [2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is ONJHQGACVSBGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c1-10(16)21-12-6-4-11(5-7-12)13(17)9-20-15(18)14-3-2-8-19-14/h2-8H,9H2,1H3.
What are the key properties of [2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate?
[2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 288.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 3549014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).