methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate

C15H16O4 — CID 68514199

IUPACmethyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate
SMILESCCc1oc(-c2ccc(OC)cc2)cc1C(=O)OC
InChIInChI=1S/C15H16O4/c1-4-13-12(15(16)18-3)9-14(19-13)10-5-7-11(17-2)8-6-10/h5-9H,4H2,1-3H3
InChIKeyXKESLJVDBWEIMO-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.30
Rot. Bonds4

About methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate

methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate (PubChem CID 68514199) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate
PubChem CID68514199
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namemethyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate
SMILESCCc1oc(-c2ccc(OC)cc2)cc1C(=O)OC
InChIInChI=1S/C15H16O4/c1-4-13-12(15(16)18-3)9-14(19-13)10-5-7-11(17-2)8-6-10/h5-9H,4H2,1-3H3
InChIKeyXKESLJVDBWEIMO-UHFFFAOYSA-N
XLogP3.30
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methoxy-5-(4-methoxyphenyl)furan-3-carboxylate
CID 10038329
methyl 2-(aminomethyl)-5-phenylfuran-3-carboxylate
CID 885353
methyl 2-(methylsulfanylmethyl)-5-phenylfuran-3-carboxylate
CID 68512547
methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate
CID 68512214
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one
CID 122375914
ethyl 4-ethyl-2-(4-methoxyphenyl)furo[3,2-b]pyrrole-5-carboxylate
CID 58814464
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398
2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822184
1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone
CID 22221637

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate?
The IUPAC name of methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate (CID 68514199) is methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate is CCc1oc(-c2ccc(OC)cc2)cc1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate?
The InChIKey is XKESLJVDBWEIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-4-13-12(15(16)18-3)9-14(19-13)10-5-7-11(17-2)8-6-10/h5-9H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate?
methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate is sourced from PubChem (CID 68514199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).