methyl 4-acetyl-5-phenylfuran-2-carboxylate

C14H12O4 — CID 46177429

IUPACmethyl 4-acetyl-5-phenylfuran-2-carboxylate
SMILESCOC(=O)c1cc(C(C)=O)c(-c2ccccc2)o1
InChIInChI=1S/C14H12O4/c1-9(15)11-8-12(14(16)17-2)18-13(11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyNCTJBRZUERIZDV-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.94
Rot. Bonds3

About methyl 4-acetyl-5-phenylfuran-2-carboxylate

methyl 4-acetyl-5-phenylfuran-2-carboxylate (PubChem CID 46177429) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 4-acetyl-5-phenylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetyl-5-phenylfuran-2-carboxylate
PubChem CID46177429
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Namemethyl 4-acetyl-5-phenylfuran-2-carboxylate
SMILESCOC(=O)c1cc(C(C)=O)c(-c2ccccc2)o1
InChIInChI=1S/C14H12O4/c1-9(15)11-8-12(14(16)17-2)18-13(11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyNCTJBRZUERIZDV-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

methyl 4-acetyl-5-bromofuran-2-carboxylate
CID 84737463
methyl 5-tert-butyl-2-phenylfuran-3-carboxylate
CID 14321437
methyl 4,5,6,7-tetraphenyl-1-benzofuran-2-carboxylate
CID 162398645
methyl 3-acetylazulene-1-carboxylate
CID 11241652
methyl 5-iodo-2-oxo-6-phenylpyran-3-carboxylate
CID 154717333
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate
CID 54314926
methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate
CID 164684371
CID 143927120
CID 143927120
methyl 6-amino-2-phenyl-1-benzofuran-3-carboxylate
CID 67981731
methyl 2-(aminomethyl)-5-phenylfuran-3-carboxylate
CID 885353
methyl 4-(3-phenylphenyl)furo[2,3-c]pyridine-2-carboxylate
CID 69486162

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetyl-5-phenylfuran-2-carboxylate?
The IUPAC name of methyl 4-acetyl-5-phenylfuran-2-carboxylate (CID 46177429) is methyl 4-acetyl-5-phenylfuran-2-carboxylate.
What is the SMILES notation for methyl 4-acetyl-5-phenylfuran-2-carboxylate?
The canonical SMILES for methyl 4-acetyl-5-phenylfuran-2-carboxylate is COC(=O)c1cc(C(C)=O)c(-c2ccccc2)o1.
What is the InChIKey of methyl 4-acetyl-5-phenylfuran-2-carboxylate?
The InChIKey is NCTJBRZUERIZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-9(15)11-8-12(14(16)17-2)18-13(11)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of methyl 4-acetyl-5-phenylfuran-2-carboxylate?
methyl 4-acetyl-5-phenylfuran-2-carboxylate 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 4-acetyl-5-phenylfuran-2-carboxylate is sourced from PubChem (CID 46177429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).