2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate

C20H17O4- — CID 57374963

IUPAC2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate
SMILESCCC(C(=O)[O-])C1(c2ccccc2)OC(=O)C=C1c1ccccc1
InChIInChI=1S/C20H18O4/c1-2-16(19(22)23)20(15-11-7-4-8-12-15)17(13-18(21)24-20)14-9-5-3-6-10-14/h3-13,16H,2H2,1H3,(H,22,23)/p-1
InChIKeyHOOHWOBSFFBALF-UHFFFAOYSA-M
MW321.35 g/mol
LogP2.30
Rot. Bonds5

About 2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate

2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate (PubChem CID 57374963) has the molecular formula C20H17O4- and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate.

Molecular Properties

Compound Name2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate
PubChem CID57374963
Molecular FormulaC20H17O4-
Molecular Weight321.35 g/mol
Exact Mass321.11
IUPAC Name2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate
SMILESCCC(C(=O)[O-])C1(c2ccccc2)OC(=O)C=C1c1ccccc1
InChIInChI=1S/C20H18O4/c1-2-16(19(22)23)20(15-11-7-4-8-12-15)17(13-18(21)24-20)14-9-5-3-6-10-14/h3-13,16H,2H2,1H3,(H,22,23)/p-1
InChIKeyHOOHWOBSFFBALF-UHFFFAOYSA-M
XLogP2.30
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate?
The IUPAC name of 2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate (CID 57374963) is 2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate.
What is the SMILES notation for 2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate?
The canonical SMILES for 2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate is CCC(C(=O)[O-])C1(c2ccccc2)OC(=O)C=C1c1ccccc1.
What is the InChIKey of 2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate?
The InChIKey is HOOHWOBSFFBALF-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18O4/c1-2-16(19(22)23)20(15-11-7-4-8-12-15)17(13-18(21)24-20)14-9-5-3-6-10-14/h3-13,16H,2H2,1H3,(H,22,23)/p-1.
What are the key properties of 2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate?
2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate has a molecular weight of 321.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate is sourced from PubChem (CID 57374963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).