(3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one

C16H10O5 — CID 6997466

IUPAC(3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one
SMILESO=C1O[C@H](O[C@@H]2OC(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C16H10O5/c17-13-9-5-1-3-7-11(9)15(19-13)21-16-12-8-4-2-6-10(12)14(18)20-16/h1-8,15-16H/t15-,16+
InChIKeyLTOWYDKNFDNQTL-IYBDPMFKSA-N
MW282.25 g/mol
LogP2.74
Rot. Bonds2

About (3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one

(3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one (PubChem CID 6997466) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is (3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one
PubChem CID6997466
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name(3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one
SMILESO=C1O[C@H](O[C@@H]2OC(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C16H10O5/c17-13-9-5-1-3-7-11(9)15(19-13)21-16-12-8-4-2-6-10(12)14(18)20-16/h1-8,15-16H/t15-,16+
InChIKeyLTOWYDKNFDNQTL-IYBDPMFKSA-N
XLogP2.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one?
The IUPAC name of (3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one (CID 6997466) is (3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one.
What is the SMILES notation for (3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one?
The canonical SMILES for (3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one is O=C1O[C@H](O[C@@H]2OC(=O)c3ccccc32)c2ccccc21.
What is the InChIKey of (3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one?
The InChIKey is LTOWYDKNFDNQTL-IYBDPMFKSA-N. The full InChI is InChI=1S/C16H10O5/c17-13-9-5-1-3-7-11(9)15(19-13)21-16-12-8-4-2-6-10(12)14(18)20-16/h1-8,15-16H/t15-,16+.
What are the key properties of (3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one?
(3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one has a molecular weight of 282.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]oxy]-3H-2-benzofuran-1-one is sourced from PubChem (CID 6997466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).