2-oxopropyl 2-(5-formylfuran-2-yl)benzoate

C15H12O5 — CID 169334646

IUPAC2-oxopropyl 2-(5-formylfuran-2-yl)benzoate
SMILESCC(=O)COC(=O)c1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C15H12O5/c1-10(17)9-19-15(18)13-5-3-2-4-12(13)14-7-6-11(8-16)20-14/h2-8H,9H2,1H3
InChIKeyAWUUKNVYYRCBJM-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.50
Rot. Bonds5

About 2-oxopropyl 2-(5-formylfuran-2-yl)benzoate

2-oxopropyl 2-(5-formylfuran-2-yl)benzoate (PubChem CID 169334646) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-oxopropyl 2-(5-formylfuran-2-yl)benzoate.

Molecular Properties

Compound Name2-oxopropyl 2-(5-formylfuran-2-yl)benzoate
PubChem CID169334646
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2-oxopropyl 2-(5-formylfuran-2-yl)benzoate
SMILESCC(=O)COC(=O)c1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C15H12O5/c1-10(17)9-19-15(18)13-5-3-2-4-12(13)14-7-6-11(8-16)20-14/h2-8H,9H2,1H3
InChIKeyAWUUKNVYYRCBJM-UHFFFAOYSA-N
XLogP2.50
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 2-(5-formylfuran-2-yl)benzoate
CID 169331925
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 169335250
2-oxopropyl 2-(2-cyanophenyl)benzoate
CID 7520288
5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169334647
methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6888698
5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde
CID 169333844
methyl 2-(5-acetylfuran-2-yl)benzoate
CID 16649203
5-[2-(2-methoxyethyl)phenyl]furan-2-carbaldehyde
CID 102907443
2-oxopropyl 2-(1,3-benzothiazol-2-yl)benzoate
CID 2581641
methyl 2-[5-[(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 4271764
2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 169333386

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-(5-formylfuran-2-yl)benzoate?
The IUPAC name of 2-oxopropyl 2-(5-formylfuran-2-yl)benzoate (CID 169334646) is 2-oxopropyl 2-(5-formylfuran-2-yl)benzoate.
What is the SMILES notation for 2-oxopropyl 2-(5-formylfuran-2-yl)benzoate?
The canonical SMILES for 2-oxopropyl 2-(5-formylfuran-2-yl)benzoate is CC(=O)COC(=O)c1ccccc1-c1ccc(C=O)o1.
What is the InChIKey of 2-oxopropyl 2-(5-formylfuran-2-yl)benzoate?
The InChIKey is AWUUKNVYYRCBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-10(17)9-19-15(18)13-5-3-2-4-12(13)14-7-6-11(8-16)20-14/h2-8H,9H2,1H3.
What are the key properties of 2-oxopropyl 2-(5-formylfuran-2-yl)benzoate?
2-oxopropyl 2-(5-formylfuran-2-yl)benzoate has a molecular weight of 272.26 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-(5-formylfuran-2-yl)benzoate is sourced from PubChem (CID 169334646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).