ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate

C20H26O6 — CID 171346378

IUPACethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate
SMILESCCCC(C)CC1(C(=O)OCC)OC(=O)C(O)=C1c1ccc(OC)cc1
InChIInChI=1S/C20H26O6/c1-5-7-13(3)12-20(19(23)25-6-2)16(17(21)18(22)26-20)14-8-10-15(24-4)11-9-14/h8-11,13,21H,5-7,12H2,1-4H3
InChIKeyHCQAXJHMCYUZJK-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.65
Rot. Bonds8

About ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate

ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate (PubChem CID 171346378) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate
PubChem CID171346378
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Nameethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate
SMILESCCCC(C)CC1(C(=O)OCC)OC(=O)C(O)=C1c1ccc(OC)cc1
InChIInChI=1S/C20H26O6/c1-5-7-13(3)12-20(19(23)25-6-2)16(17(21)18(22)26-20)14-8-10-15(24-4)11-9-14/h8-11,13,21H,5-7,12H2,1-4H3
InChIKeyHCQAXJHMCYUZJK-UHFFFAOYSA-N
XLogP3.65
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate?
The IUPAC name of ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate (CID 171346378) is ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate is CCCC(C)CC1(C(=O)OCC)OC(=O)C(O)=C1c1ccc(OC)cc1.
What is the InChIKey of ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate?
The InChIKey is HCQAXJHMCYUZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-5-7-13(3)12-20(19(23)25-6-2)16(17(21)18(22)26-20)14-8-10-15(24-4)11-9-14/h8-11,13,21H,5-7,12H2,1-4H3.
What are the key properties of ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate?
ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate has a molecular weight of 362.42 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-(2-methylpentyl)-5-oxofuran-2-carboxylate is sourced from PubChem (CID 171346378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).