methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate

C17H18O5 — CID 11220371

IUPACmethyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate
SMILESCCc1c(-c2ccc(C(=O)OC)cc2)oc(C)c1C(=O)OC
InChIInChI=1S/C17H18O5/c1-5-13-14(17(19)21-4)10(2)22-15(13)11-6-8-12(9-7-11)16(18)20-3/h6-9H,5H2,1-4H3
InChIKeyKJZKMYNNOLUQAU-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.39
Rot. Bonds4

About methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate

methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate (PubChem CID 11220371) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate
PubChem CID11220371
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Namemethyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate
SMILESCCc1c(-c2ccc(C(=O)OC)cc2)oc(C)c1C(=O)OC
InChIInChI=1S/C17H18O5/c1-5-13-14(17(19)21-4)10(2)22-15(13)11-6-8-12(9-7-11)16(18)20-3/h6-9H,5H2,1-4H3
InChIKeyKJZKMYNNOLUQAU-UHFFFAOYSA-N
XLogP3.39
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(4-acetylphenyl)-2,4-dimethylfuran-3-carboxylate
CID 11380259
methyl 5-(4-cyanophenyl)-2,4-dimethylfuran-3-carboxylate
CID 11149502
N-ethylethanamine;methyl 4-methylbenzoate
CID 18508179
methyl 4-methylbenzoate
CID 91113291
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-methylbenzoate
CID 7455
methyl 4-(2,5-dimethylfuran-3-yl)benzoate
CID 102481720
methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate
CID 164684371
hexane;methyl 4-methylbenzoate
CID 143689226
dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
methyl 4-methylbenzoate tritetrafluoroborate
CID 175179502

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate (CID 11220371) is methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate is CCc1c(-c2ccc(C(=O)OC)cc2)oc(C)c1C(=O)OC.
What is the InChIKey of methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate?
The InChIKey is KJZKMYNNOLUQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-5-13-14(17(19)21-4)10(2)22-15(13)11-6-8-12(9-7-11)16(18)20-3/h6-9H,5H2,1-4H3.
What are the key properties of methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate?
methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-5-(4-methoxycarbonylphenyl)-2-methylfuran-3-carboxylate is sourced from PubChem (CID 11220371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).