2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

C22H23NO7 — CID 3152559

IUPAC2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESCCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CC2CCCO2)ccc1O
InChIInChI=1S/C22H23NO7/c1-2-28-17-11-13(7-8-15(17)24)19-18(20(25)16-6-4-10-30-16)21(26)22(27)23(19)12-14-5-3-9-29-14/h4,6-8,10-11,14,19,24,26H,2-3,5,9,12H2,1H3
InChIKeyBUYQAEINGYVCSH-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.14
Rot. Bonds7

About 2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 3152559) has the molecular formula C22H23NO7 and a molecular weight of 413.43 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID3152559
Molecular FormulaC22H23NO7
Molecular Weight413.43 g/mol
Exact Mass413.15
IUPAC Name2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESCCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CC2CCCO2)ccc1O
InChIInChI=1S/C22H23NO7/c1-2-28-17-11-13(7-8-15(17)24)19-18(20(25)16-6-4-10-30-16)21(26)22(27)23(19)12-14-5-3-9-29-14/h4,6-8,10-11,14,19,24,26H,2-3,5,9,12H2,1H3
InChIKeyBUYQAEINGYVCSH-UHFFFAOYSA-N
XLogP3.14
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (CID 3152559) is 2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is CCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CC2CCCO2)ccc1O.
What is the InChIKey of 2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is BUYQAEINGYVCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO7/c1-2-28-17-11-13(7-8-15(17)24)19-18(20(25)16-6-4-10-30-16)21(26)22(27)23(19)12-14-5-3-9-29-14/h4,6-8,10-11,14,19,24,26H,2-3,5,9,12H2,1H3.
What are the key properties of 2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 413.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3152559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).