methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate

C16H18O6 — CID 54058803

IUPACmethyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate
SMILESCCOCC1(c2cccc(OC)c2)OC(C(=O)OC)=CC1=O
InChIInChI=1S/C16H18O6/c1-4-21-10-16(11-6-5-7-12(8-11)19-2)14(17)9-13(22-16)15(18)20-3/h5-9H,4,10H2,1-3H3
InChIKeyLYEGFRHALUUODR-UHFFFAOYSA-N
MW306.31 g/mol
LogP1.58
Rot. Bonds6

About methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate

methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate (PubChem CID 54058803) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate
PubChem CID54058803
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Namemethyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate
SMILESCCOCC1(c2cccc(OC)c2)OC(C(=O)OC)=CC1=O
InChIInChI=1S/C16H18O6/c1-4-21-10-16(11-6-5-7-12(8-11)19-2)14(17)9-13(22-16)15(18)20-3/h5-9H,4,10H2,1-3H3
InChIKeyLYEGFRHALUUODR-UHFFFAOYSA-N
XLogP1.58
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate?
The IUPAC name of methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate (CID 54058803) is methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate.
What is the SMILES notation for methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate?
The canonical SMILES for methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate is CCOCC1(c2cccc(OC)c2)OC(C(=O)OC)=CC1=O.
What is the InChIKey of methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate?
The InChIKey is LYEGFRHALUUODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6/c1-4-21-10-16(11-6-5-7-12(8-11)19-2)14(17)9-13(22-16)15(18)20-3/h5-9H,4,10H2,1-3H3.
What are the key properties of methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate?
methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate has a molecular weight of 306.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate is sourced from PubChem (CID 54058803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).