ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate

C20H18O3 — CID 100921734

IUPACethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2)oc1-c1ccccc1
InChIInChI=1S/C20H18O3/c1-3-22-20(21)17-13-18(15-11-9-14(2)10-12-15)23-19(17)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3
InChIKeyMOHVNHFPCVKQCO-UHFFFAOYSA-N
MW306.36 g/mol
LogP5.10
Rot. Bonds4

About ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate

ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate (PubChem CID 100921734) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
PubChem CID100921734
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Nameethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2)oc1-c1ccccc1
InChIInChI=1S/C20H18O3/c1-3-22-20(21)17-13-18(15-11-9-14(2)10-12-15)23-19(17)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3
InChIKeyMOHVNHFPCVKQCO-UHFFFAOYSA-N
XLogP5.10
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate
CID 44632724
ethyl 5-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 102226522
ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate
CID 24774597
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate
CID 24751968
ethyl 2-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 16650765
ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate
CID 10596732
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl acetate;1-methyl-4-phenylbenzene
CID 54016895
ethyl 4-(4-chlorophenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 138984790
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate?
The IUPAC name of ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate (CID 100921734) is ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate is CCOC(=O)c1cc(-c2ccc(C)cc2)oc1-c1ccccc1.
What is the InChIKey of ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate?
The InChIKey is MOHVNHFPCVKQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-3-22-20(21)17-13-18(15-11-9-14(2)10-12-15)23-19(17)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate?
ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate is sourced from PubChem (CID 100921734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).