methyl 2-(5-acetylfuran-2-yl)benzoate

C14H12O4 — CID 16649203

IUPACmethyl 2-(5-acetylfuran-2-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(C(C)=O)o1
InChIInChI=1S/C14H12O4/c1-9(15)12-7-8-13(18-12)10-5-3-4-6-11(10)14(16)17-2/h3-8H,1-2H3
InChIKeyHVRVNVQUALNSDH-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.94
Rot. Bonds3

About methyl 2-(5-acetylfuran-2-yl)benzoate

methyl 2-(5-acetylfuran-2-yl)benzoate (PubChem CID 16649203) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 2-(5-acetylfuran-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(5-acetylfuran-2-yl)benzoate
PubChem CID16649203
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Namemethyl 2-(5-acetylfuran-2-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(C(C)=O)o1
InChIInChI=1S/C14H12O4/c1-9(15)12-7-8-13(18-12)10-5-3-4-6-11(10)14(16)17-2/h3-8H,1-2H3
InChIKeyHVRVNVQUALNSDH-UHFFFAOYSA-N
XLogP2.94
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-propan-2-ylphenyl)furan-2-yl]ethanone
CID 62500184
methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate
CID 2739697
methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6888698
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
1-[5-(2-nitrophenyl)furan-2-yl]ethanone
CID 2755858
1-[5-(2-propylphenyl)furan-2-yl]ethanone
CID 62498239
methyl 2-[5-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126254581
dimethyl 5-(5-acetylfuran-2-yl)benzene-1,3-dicarboxylate
CID 960529
methyl 3-acetylazulene-1-carboxylate
CID 11241652
1-(5-methylcyclopenta[b]pyran-2-yl)ethanone
CID 151002996
methyl 2-[5-[(4-chlorophenyl)iminomethyl]furan-2-yl]benzoate
CID 963942
methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate
CID 3641679

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-acetylfuran-2-yl)benzoate?
The IUPAC name of methyl 2-(5-acetylfuran-2-yl)benzoate (CID 16649203) is methyl 2-(5-acetylfuran-2-yl)benzoate.
What is the SMILES notation for methyl 2-(5-acetylfuran-2-yl)benzoate?
The canonical SMILES for methyl 2-(5-acetylfuran-2-yl)benzoate is COC(=O)c1ccccc1-c1ccc(C(C)=O)o1.
What is the InChIKey of methyl 2-(5-acetylfuran-2-yl)benzoate?
The InChIKey is HVRVNVQUALNSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-9(15)12-7-8-13(18-12)10-5-3-4-6-11(10)14(16)17-2/h3-8H,1-2H3.
What are the key properties of methyl 2-(5-acetylfuran-2-yl)benzoate?
methyl 2-(5-acetylfuran-2-yl)benzoate has a molecular weight of 244.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-acetylfuran-2-yl)benzoate is sourced from PubChem (CID 16649203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).