methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate

C20H16O4 — CID 101099936

IUPACmethyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate
SMILESCOC(=O)c1c(C(=O)c2ccc(C)cc2)coc1-c1ccccc1
InChIInChI=1S/C20H16O4/c1-13-8-10-14(11-9-13)18(21)16-12-24-19(17(16)20(22)23-2)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyFOKKJNAHTPQJIV-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.27
Rot. Bonds4

About methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate

methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate (PubChem CID 101099936) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate
PubChem CID101099936
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Namemethyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate
SMILESCOC(=O)c1c(C(=O)c2ccc(C)cc2)coc1-c1ccccc1
InChIInChI=1S/C20H16O4/c1-13-8-10-14(11-9-13)18(21)16-12-24-19(17(16)20(22)23-2)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyFOKKJNAHTPQJIV-UHFFFAOYSA-N
XLogP4.27
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-4-(2,3,4-trimethoxybenzoyl)furan-3-carboxylate
CID 56955596
dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate
CID 141186946
methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate
CID 56955599
dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate
CID 11770872
trimethyl 4-benzoylbenzene-1,2,3-tricarboxylate
CID 139914532
dimethyl 2-(2-methylphenyl)furan-3,4-dicarboxylate
CID 141186952
dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate
CID 14902064
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate
CID 164684371
methyl 4-methylbenzoate tritetrafluoroborate
CID 175179502
4-(4-methylbenzoyl)isochromen-1-one
CID 71387247
dibutyl 2-(4-methylphenyl)furan-3,4-dicarboxylate
CID 141236274

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate?
The IUPAC name of methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate (CID 101099936) is methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate?
The canonical SMILES for methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate is COC(=O)c1c(C(=O)c2ccc(C)cc2)coc1-c1ccccc1.
What is the InChIKey of methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate?
The InChIKey is FOKKJNAHTPQJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-13-8-10-14(11-9-13)18(21)16-12-24-19(17(16)20(22)23-2)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate?
methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate has a molecular weight of 320.34 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate is sourced from PubChem (CID 101099936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).